AC1OBZ7C

4-[(E)-(3-nitrophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione

Also Known As: (E)-5-(3-isopropoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-5-[3-(methylethoxy)phenyl]-1,2,4-triazol e-3-thiol|4-[(E)-(3-nitrophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(3-isopropoxyphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide

Molecular Formula	C18H17N5O3S
Molecular Weight	383.10522 g/mol
LogP	4.18529
Topological Polar Surface Area	98.34 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	383.10522
Monoisotopic Mass	383.10522
Heavy Atoms	27
Complexity	1054.9008

Chemical Identifiers

CAS Number	579446-90-5
SMILES	CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)[N+](=O)[O-]