AC1OBMIM

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

Also Known As: (E)-4-((4-chloro-3-nitrobenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl]-5-(3-methoxyphenyl)-1,2,4-triaz ole-3-thiol|4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

Molecular Formula	C16H12ClN5O3S
Molecular Weight	389.03494 g/mol
LogP	4.06009
Topological Polar Surface Area	98.34 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	389.03494
Monoisotopic Mass	389.03494
Heavy Atoms	26
Complexity	1060.0339

Chemical Identifiers

CAS Number	613249-20-0
SMILES	COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]