[4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2,6-dimethoxy-phenyl] ethanoate

Systemtic Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2,6-dimethoxy-phenyl] ethanoate Openeye Name: [4-[[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-2,6-dimethoxy-phenyl] acetate CAS Name: acetic acid [4-[[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-[[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate Traditional Name: acetic acid [4-[[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-2,6-dimethoxy-phenyl] ester Formula: C20H21N4O5S+ MolecularWeight: 429.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H20N4O5S/c1-12(25)29-19-16(27-2)8-13(9-17(19)28-3)10-21-24-18(26)11-30-20-22-14-6-4-5-7-15(14)23-20/h4-10H,11H2,1-3H3,(H,22,23)(H,24,26)/p+1