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

Systemtic Name: 2-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=CC=CC=C3[O-]

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)N/N=C/C3=CC=CC=C3[O-]

InChI

InChI=1S/C17H16N4O2S/c1-21-14-8-4-3-7-13(14)19-17(21)24-11-16(23)20-18-10-12-6-2-5-9-15(12)22/h2-10H,11H2,1H3,(H2,18,20,22,23)