2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]benzoic acid Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=CC=CC=C3C(=O)O

InChI

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