AC1NQ2IX structure

AC1NQ2IX

2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

Also Known As: 2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide|2-[5-(2-chlorophenyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-2 -(trifluoromethyl)phenyl]acetamide|2-{[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide|N-(4-chloro-2-(trifluoromethyl)phenyl)-2-((5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

CAS: 862116-83-4
Molecular Formula C22H15Cl2F3N4O2S
Molecular Weight 526.0245 g/mol
LogP 6.6428
Topological Polar Surface Area 72.95 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 7
Exact Mass 526.0245
Monoisotopic Mass 526.0245
Heavy Atoms 34
Complexity 1309.9795

Chemical Identifiers

CAS Number 862116-83-4
SMILES C1=CC=C(C(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F)Cl

Product Overview

AC1NQ2IX (CAS 862116-83-4), with molecular formula C22H15Cl2F3N4O2S and molecular weight 526.0245 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]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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