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Screening compounds

Anticancer agent 83

Also known as 1-(4-isopropylphenyl)-5-methyl-N-(4-thiocyanatophenyl)-1H-1,2,3-triazole-4-carboxamide, N-[4-(cyanosulfanyl)phenyl]-5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide, 4-[({5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}carbonyl)amino]phenyl thiocyanate

CAS 904815-29-8Formula C20H19N5OSMolar mass 377.47 g/mol
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Anticancer agent 83 chemical structure, C20H19N5OS, CAS 904815-29-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
904815-29-8
Formula
C20H19N5OS
Molar mass
377.47 g/mol
HS code
293399
Category
Screening compounds

What is Anticancer agent 83?

Plain description, key identifiers and synonyms

Anticancer agent 83 is a chemical substance with the molecular formula C20H19N5OS and a molar mass of 377.47 g/mol. Its CAS registry number is 904815-29-8. The IUPAC name is [4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate
CAS number
904815-29-8
Molecular formula
C20H19N5OS
InChIKey
YVZLYBOOUTVSFY-UHFFFAOYSA-N
InChI
InChI=1S/C20H19N5OS/c1-13(2)15-4-8-17(9-5-15)25-14(3)19(23-24-25)20(26)22-16-6-10-18(11-7-16)27-12-21/h4-11,13H,1-3H3,(H,22,26)
SMILES (canonical and isomeric)
CC1=C(N=NN1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)SC#N

Synonyms

  • 1-(4-isopropylphenyl)-5-methyl-N-(4-thiocyanatophenyl)-1H-1,2,3-triazole-4-carboxamide
  • N-[4-(cyanosulfanyl)phenyl]-5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
  • 4-[({5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}carbonyl)amino]phenyl thiocyanate
  • [4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate
  • N-(4-cyanothiophenyl){5-methyl-1-[4-(methylethyl)phenyl](1,2,3-triazol-4-yl)}c arboxamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
377.47 g/molcalc.
Exact mass
377.131 Dacalc.
LogP (octanol/water)
4.52calc.
Topological polar surface area
83.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1ccccc1)c1cn(-c2ccccc2)nn1

O=C(Nc1ccccc1)c1cn(-c2ccccc2)nn1

3 rings, 20 atoms.

948 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Anticancer agent 83 suppliers

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Anticancer agent 83 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Anticancer agent 83 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Anticancer agent 83 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Anticancer agent 83, based on the data on this page

What is Anticancer agent 83?

Anticancer agent 83 is a chemical substance with the molecular formula C20H19N5OS and a molar mass of 377.47 g/mol. Its CAS registry number is 904815-29-8. The IUPAC name is [4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate.

What is the CAS number of Anticancer agent 83?

The CAS registry number of Anticancer agent 83 is 904815-29-8.

What is the molecular formula and weight of Anticancer agent 83?

The molecular formula of Anticancer agent 83 is C20H19N5OS and its molar mass is 377.47 g/mol.

What is Anticancer agent 83 used for?

Known uses and roles of Anticancer agent 83 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Anticancer agent 83 hazardous?

No GHS hazard classification for Anticancer agent 83 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Anticancer agent 83?

Anticancer agent 83 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anticancer agent 83?

Post a free request on CompoundList and suppliers of Anticancer agent 83 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Anticancer agent 83?

Suppliers quote Anticancer agent 83 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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