4-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 4-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 4-[4-[[2-(methylthio)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 4-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 4-[4-[[2-(methylthio)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N2O2S/c1-27-22-23-19-4-2-3-5-20(19)24(22)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21(25)26/h2-13H,14H2,1H3,(H,25,26)