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

Systemtic Name: 5-[(Z)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-4-nitro-phenolate Openeye Name: 5-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-methoxy-4-nitro-phenolate CAS Name: 5-[(Z)-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxy-4-nitrophenolate IUPAC Name: 5-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxy-4-nitrophenolate Traditional Name: 5-[(Z)-[[2-(1H-benzimidazol-2-ylthio)acetyl]hydrazono]methyl]-2-methoxy-4-nitro-phenolate Formula: C17H14N5O5S- MolecularWeight: 400.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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