1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[3-nitro-4-(p-tolylsulfanyl)phenyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[3-nitro-4-(p-tolylthio)benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NN3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/N3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O2S/c1-12-2-5-14(6-3-12)24-16-7-4-13(8-15(16)21(22)23)9-19-20-10-17-18-11-20/h2-11H,1H3/b19-9+