methyl 4-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]benzoate CAS Name: 4-[[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]benzoic acid methyl ester Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-3-24-17-7-5-4-6-16(17)22-20(24)28-13-18(25)23-21-12-14-8-10-15(11-9-14)19(26)27-2/h4-12H,3,13H2,1-2H3,(H,23,25,26)/p+1