2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(p-tolyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetate Formula: C16H13N2O2S- MolecularWeight: 297.35162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)[O-]

InChI

InChI=1S/C16H14N2O2S/c1-11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)17-16(18)21-10-15(19)20/h2-9H,10H2,1H3,(H,19,20)/p-1