4-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[1-[(4-chlorophenyl)methyl]-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 4-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[1-(4-chlorobenzyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17ClN2O2S/c23-18-11-7-15(8-12-18)13-25-20-4-2-1-3-19(20)24-22(25)28-14-16-5-9-17(10-6-16)21(26)27/h1-12H,13-14H2,(H,26,27)