AC1Q3YIS structure

AC1Q3YIS

N-(3-chloro-2-methylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Also Known As: BAS 02749703|AG-690/40754470|N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(3-chloro-2-methylphenyl)-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide|N-(3-chloro-2-methylphenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide

CAS: 333418-80-7
Molecular Formula C17H16ClN5OS
Molecular Weight 373.07642 g/mol
LogP 3.56972
Topological Polar Surface Area 72.7 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 373.07642
Monoisotopic Mass 373.07642
Heavy Atoms 25
Complexity 897.3088

Chemical Identifiers

CAS Number 333418-80-7
SMILES CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3

Product Overview

AC1Q3YIS (CAS 333418-80-7), with molecular formula C17H16ClN5OS and molecular weight 373.07642 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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