4-[(E)-[2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-[(E)-[2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-[(E)-[[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 4-[(E)-[[1-oxo-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]ethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-[(E)-[[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-[(E)-[[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC=C(C=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)N/N=C/C4=CC=C(C=C4)[O-]

InChI

InChI=1S/C23H20N4O2S/c28-19-12-10-17(11-13-19)14-24-26-22(29)16-30-23-25-20-8-4-5-9-21(20)27(23)15-18-6-2-1-3-7-18/h1-14H,15-16H2,(H2,24,26,28,29)