Murcko scaffold
Ring system with 3 rings and 22 atoms
38 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 22
- Chemicals
- 38
- With full pages
- 31
Scaffold SMILES
S=c1[nH]nc(COc2ccccc2)n1N=Cc1ccccc1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold S=c1[nH]nc(COc2ccccc2)n1N=Cc1ccccc1](/scaffold/WIMFCFWDUQGEKM-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 38 of 38 chemicals
4-((5-Bromo-2-hydroxybenzylidene)amino)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS 488718-22-5C16H13BrN4O2S
![4-[(E)-(2-Methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C17H16N4OS, CAS 488133-77-3](/s/YTMLAHVESOYMAZ-WOJGMQOQSA-N.svg)
4-[(E)-(2-Methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 488133-77-3C17H16N4OS
![4-[(E)-(4-Ethylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C18H18N4OS, CAS 488793-02-8](/s/XMZMVHVUPKKNRL-XDHOZWIPSA-N.svg)
4-[(E)-(4-Ethylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 488793-02-8C18H18N4OS
![4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C17H16N4O2S, CAS 132784-40-8](/s/VFJMKLSFZYVXOZ-WOJGMQOQSA-N.svg)
4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 132784-40-8C17H16N4O2S
![4-{[4-(Dimethylamino)benzylidene]amino}-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol chemical structure, C18H19N5OS, CAS 488860-05-5](/s/YBNHLMOGQQZCNK-XDHOZWIPSA-N.svg)
4-{[4-(Dimethylamino)benzylidene]amino}-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
CAS 488860-05-5C18H19N5OS
![4-[(E)-(4-Methylsulfanylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C17H16N4OS2, CAS 488841-63-0](/s/QZXSLDFWNCQGMP-WOJGMQOQSA-N.svg)
4-[(E)-(4-Methylsulfanylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 488841-63-0C17H16N4OS2
![Methyl 4-[(E)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate chemical structure, C18H16N4O3S, CAS 499117-17-8](/s/KXKLMKWYQSYYSF-YBFXNURJSA-N.svg)
Methyl 4-[(E)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
CAS 499117-17-8C18H16N4O3S
![4-[(E)-(2-Ethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C18H18N4O2S, CAS 497864-95-6](/s/GNJIGZWHWWFBGY-XDHOZWIPSA-N.svg)
4-[(E)-(2-Ethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 497864-95-6C18H18N4O2S
![4-[(E)-(4-Methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C17H16N4OS, CAS 488842-04-2](/s/KYACOKBBSBNWNW-WOJGMQOQSA-N.svg)
4-[(E)-(4-Methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 488842-04-2C17H16N4OS
![3-(Phenoxymethyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione chemical structure, C19H20N4OS, CAS 500272-06-0](/s/YKFANCKKNZPYDU-UDWIEESQSA-N.svg)
3-(Phenoxymethyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CAS 500272-06-0C19H20N4OS
![4-[(E)-(2,5-Dimethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C18H18N4O3S, CAS 488102-18-7](/s/PCTZCGOPIJPLCA-YBFXNURJSA-N.svg)
4-[(E)-(2,5-Dimethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 488102-18-7C18H18N4O3S
![3-(Phenoxymethyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione chemical structure, C19H20N4O4S, CAS 489399-04-4](/s/SHKOFVWLDIHBOX-RGVLZGJSSA-N.svg)
3-(Phenoxymethyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CAS 489399-04-4C19H20N4O4S
![4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C17H16N4O2S, CAS 489398-12-1](/s/HHEOHQUQQYXISD-WOJGMQOQSA-N.svg)
4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 489398-12-1C17H16N4O2S
![[2,6-Dimethoxy-4-[(E)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate chemical structure, C20H20N4O5S, CAS 497867-20-6](/s/HLPVCJQRFDJRKM-SRZZPIQSSA-N.svg)
[2,6-Dimethoxy-4-[(E)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
CAS 497867-20-6C20H20N4O5S
![4-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C18H18N4O3S, CAS 497941-00-1](/s/RLLMGDJLYIBNKB-YBFXNURJSA-N.svg)
4-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 497941-00-1C18H18N4O3S
![4-[(E)-(3-Methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C17H16N4OS, CAS 488733-39-7](/s/VMTIRGYYTLJDRI-WOJGMQOQSA-N.svg)
4-[(E)-(3-Methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 488733-39-7C17H16N4OS
![4-[(E)-(4-Bromophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C16H13BrN4OS, CAS 497231-73-9](/s/FMBFBOMSPIWTGM-VCHYOVAHSA-N.svg)
4-[(E)-(4-Bromophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 497231-73-9C16H13BrN4OS
![4-[(3-Nitrobenzylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol chemical structure, C16H13N5O3S, CAS 497244-06-1](/s/ATFCBSDGKGRTCO-LICLKQGHSA-N.svg)
4-[(3-Nitrobenzylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
CAS 497244-06-1C16H13N5O3S
![4-[(E)-(3,4-Dichlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C16H12Cl2N4OS, CAS 497248-45-0](/s/QXNSOMYTOBHFNR-DJKKODMXSA-N.svg)
4-[(E)-(3,4-Dichlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 497248-45-0C16H12Cl2N4OS
![4-[(E)-(2-Fluorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C16H13FN4OS, CAS 488120-75-8](/s/RHRBQMRWXIZZRY-VCHYOVAHSA-N.svg)
4-[(E)-(2-Fluorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 488120-75-8C16H13FN4OS
![3-(Phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione chemical structure, C19H20N4O4S, CAS 488093-13-6](/s/KDBWQONIJQFTMJ-RGVLZGJSSA-N.svg)
3-(Phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CAS 488093-13-6C19H20N4O4S
![4-[(E)-(2-Chlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C16H13ClN4OS, CAS 488725-19-5](/s/ZSYQPNBYULRACU-VCHYOVAHSA-N.svg)
4-[(E)-(2-Chlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 488725-19-5C16H13ClN4OS
![4-[(E)-(4-Chlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione chemical structure, C16H13ClN4OS, CAS 135642-07-8](/s/LGDXKLNBTMSXRI-VCHYOVAHSA-N.svg)
4-[(E)-(4-Chlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CAS 135642-07-8C16H13ClN4OS
![3-(Phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione chemical structure, C19H20N4O2S, CAS 497079-58-0](/s/WIHLJKGBNCHYSS-DEDYPNTBSA-N.svg)
3-(Phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CAS 497079-58-0C19H20N4O2S
- 4-[(E)-(4-Fluorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione488120-98-5C16H13FN4OS
- 4-[(E)-(2-Nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione132784-38-4C16H13N5O3S
- 4-[(E)-(4-Nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione135642-08-9C16H13N5O3S
- 3-(Phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione498538-31-1C17H13F3N4OS
- 4-[(E)-(3-Bromophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione498572-18-2C16H13BrN4OS
- 4-[(E)-(2-Chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione500147-20-6C16H12ClN5O3S
- (E)-2-Allyl-6-(((3-mercapto-5-(phenoxymethyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol488120-66-7C19H18N4O2S
- (E)-2-Ethoxy-4-(((3-mercapto-5-(phenoxymethyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol488854-32-6C18H18N4O3S
- (E)-5-(Diethylamino)-2-(((3-mercapto-5-(phenoxymethyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol497241-41-5C20H23N5O2S
- (4Z)-2-Bromo-6-methoxy-4-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one500194-65-0C17H15BrN4O3S
- 2-((E)-{[3-Mercapto-5-(phenoxymethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol500275-78-5C17H16N4O3S
- 2-(((3-Mercapto-5-(phenoxymethyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol132784-39-5C16H14N4O2S
- (4Z)-2-Hydroxy-4-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one499208-96-7C16H14N4O3S
- 4-{[(E)-(2,4-Dihydroxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione488121-67-1C16H14N4O3S
Related scaffolds
Same ring framework with different atoms or bond orders
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O=C(Nc1nonc1NC(=O)c1ccccc1)c1ccccc11 chemical![Scaffold O=C(Nc1ccccc1)c1[nH]ncc1N=Cc1ccccc1](/scaffold/BKQQNESBWNFHKG-UHFFFAOYSA-N/structure.svg)
O=C(Nc1ccccc1)c1[nH]ncc1N=Cc1ccccc11 chemical
O=C(Nc1ccccc1)C1CCCN1C(=O)Oc1ccccc11 chemical![Scaffold S=c1[nH]nc(COc2ccccc2)n1N=Cc1cccnc1](/scaffold/GKSFVISZNHECKQ-UHFFFAOYSA-N/structure.svg)
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