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

Systemtic Name: 4-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenolate Openeye Name: 4-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-ethoxy-phenolate CAS Name: 4-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxyphenolate IUPAC Name: 4-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-ethoxyphenolate Traditional Name: 4-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-2-ethoxy-phenolate Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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