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

Systemtic Name: 1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C13H11N7O2S MolecularWeight: 329.33714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=NN3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=N/N3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N7O2S/c1-18-5-4-14-13(18)23-12-3-2-10(6-11(12)20(21)22)7-17-19-8-15-16-9-19/h2-9H,1H3/b17-7+