2-[(E)-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]-6-methoxy-phenolate

Systemtic Name: 2-[(E)-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]-6-methoxy-phenolate Openeye Name: 2-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]-6-methoxy-phenolate CAS Name: 2-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]-6-methoxyphenolate IUPAC Name: 2-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-6-methoxyphenolate Traditional Name: 2-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]-6-methoxy-phenolate Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-3-23-15-9-5-4-8-14(15)21-19(23)27-12-17(24)22-20-11-13-7-6-10-16(26-2)18(13)25/h4-11H,3,12H2,1-2H3,(H2,20,22,24,25)