2-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-ethoxy-phenolate

Systemtic Name: 2-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-ethoxy-phenolate Openeye Name: 2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-6-ethoxy-phenolate CAS Name: 2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-6-ethoxyphenolate IUPAC Name: 2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-6-ethoxyphenolate Traditional Name: 2-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-6-ethoxy-phenolate Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1[O-])C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCOC1=CC=CC(=C1[O-])/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C18H18N4O3S/c1-2-25-15-9-5-6-12(17(15)24)10-19-22-16(23)11-26-18-20-13-7-3-4-8-14(13)21-18/h3-10,24H,2,11H2,1H3,(H,20,21)(H,22,23)/b19-10+