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

Systemtic Name: 3-[(E)-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 3-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 3-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 3-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 3-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-2-22-16-9-4-3-8-15(16)20-18(22)25-12-17(24)21-19-11-13-6-5-7-14(23)10-13/h3-11H,2,12H2,1H3,(H2,21,23,24)/b19-11+