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

Systemtic Name: 4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoic acid CAS Name: 4-[[2-(methylthio)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoic acid Traditional Name: 4-[[2-(methylthio)benzimidazol-1-yl]methyl]benzoic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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