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

Systemtic Name: 3-(3-methylphenyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(m-tolyl)-4-[(E)-(3-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-methylphenyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-methylphenyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(m-tolyl)-4-[(E)-(3-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C16H13N5O2S MolecularWeight: 339.37172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O2S/c1-11-4-2-6-13(8-11)15-18-19-16(24)20(15)17-10-12-5-3-7-14(9-12)21(22)23/h2-10H,1H3,(H,19,24)/b17-10+