2-[(Z)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[(Z)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[(Z)-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(Z)-[[2-(1H-benzimidazol-2-ylthio)acetyl]hydrazono]methyl]-6-methoxy-4-nitro-phenolate Formula: C17H14N5O5S- MolecularWeight: 400.38856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CSC2=NC3=CC=CC=C3N2)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=N\NC(=O)CSC2=NC3=CC=CC=C3N2)[O-]

InChI

InChI=1S/C17H15N5O5S/c1-27-14-7-11(22(25)26)6-10(16(14)24)8-18-21-15(23)9-28-17-19-12-4-2-3-5-13(12)20-17/h2-8,24H,9H2,1H3,(H,19,20)(H,21,23)/p-1/b18-8-