AC1MJ0T5

N-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Also Known As: BAS 01290689|N-(4-Chlorobenzyl)-N-(4-nitrophenyl)-2-((3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)thio)acetamide|AG-690/40696670|
N-(4-Chloro-benzyl)-N-(4-nitro-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol- 3-ylsulfanyl)-acetamide|N-(4-Chloro-benzyl)-N-(4-nitro-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide|N-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-(3-(3-pyridyl)(1H-1,2,4-triazol -5-ylthio))acetamide|N-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide|N-[(4-chlorophenyl)methyl]-N-{4-nitrophenyl}-2-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)sulfanyl]acetamide

Molecular Formula	C22H17ClN6O3S
Molecular Weight	480.07715 g/mol
LogP	4.7538
Topological Polar Surface Area	117.91 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	480.07715
Monoisotopic Mass	480.07715
Heavy Atoms	33
Complexity	1249.3884

Chemical Identifiers

CAS Number	337488-65-0
SMILES	C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)N(CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]