2-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]phenolate Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3N2)[O-]

InChI

InChI=1S/C16H14N4O2S/c21-14-8-4-1-5-11(14)9-17-20-15(22)10-23-16-18-12-6-2-3-7-13(12)19-16/h1-9,21H,10H2,(H,18,19)(H,20,22)/b17-9+