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

Systemtic Name: 4-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]benzoate Openeye Name: 4-[[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]benzoate CAS Name: 4-[[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 4-[[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]benzoate Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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