methyl 4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]benzoate CAS Name: 4-[[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]benzoic acid methyl ester Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S/c1-25-17(24)13-8-6-12(7-9-13)10-19-22-16(23)11-26-18-20-14-4-2-3-5-15(14)21-18/h2-10H,11H2,1H3,(H,20,21)(H,22,23)/p+1