2-[2-[(4-methylphenyl)methylsulfanyl]benzimidazol-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)methylsulfanyl]benzimidazol-1-yl]carbonylbenzoic acid Openeye Name: 2-[2-(p-tolylmethylsulfanyl)benzimidazole-1-carbonyl]benzoic acid CAS Name: 2-[[2-[(4-methylphenyl)methylthio]-1-benzimidazolyl]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-methylphenyl)methylsulfanyl]benzimidazole-1-carbonyl]benzoic acid Traditional Name: 2-[2-[(4-methylbenzyl)thio]benzimidazole-1-carbonyl]benzoic acid Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H18N2O3S/c1-15-10-12-16(13-11-15)14-29-23-24-19-8-4-5-9-20(19)25(23)21(26)17-6-2-3-7-18(17)22(27)28/h2-13H,14H2,1H3,(H,27,28)