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

Systemtic Name: [4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylidene-(1,2,4-triazol-4-yl)azanium Openeye Name: [4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylene-(1,2,4-triazol-4-yl)ammonium CAS Name: [4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methylidene-(1,2,4-triazol-4-yl)ammonium IUPAC Name: [4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylidene-(1,2,4-triazol-4-yl)azanium Traditional Name: [4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]-(1,2,4-triazol-4-yl)ammonium Formula: C13H12N7O2S+ MolecularWeight: 330.34508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)C=[NH+]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/p+1