AC1NJZ7P

2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone

Also Known As: 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-nitrophenyl)ethanone|2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone|2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone|2-{4-amino-5-[3-(4-methylphenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-1-(4-ni trophenyl)ethan-1-one

Molecular Formula	C20H17N7O3S
Molecular Weight	435.11136 g/mol
LogP	3.24062
Topological Polar Surface Area	145.62 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	435.11136
Monoisotopic Mass	435.11136
Heavy Atoms	31
Complexity	1246.7814

Chemical Identifiers

CAS Number	879428-29-2
SMILES	CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]