2-methyl-1-(3-methylsulfanylphenyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-methyl-1-(3-methylsulfanylphenyl)benzimidazole-5-carboxylic acid Openeye Name: 2-methyl-1-(3-methylsulfanylphenyl)benzimidazole-5-carboxylic acid CAS Name: 2-methyl-1-[3-(methylthio)phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-methyl-1-(3-methylsulfanylphenyl)benzimidazole-5-carboxylic acid Traditional Name: 2-methyl-1-[3-(methylthio)phenyl]benzimidazole-5-carboxylic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC(=CC=C3)SC)C=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1C3=CC(=CC=C3)SC)C=CC(=C2)C(=O)O

InChI

InChI=1S/C16H14N2O2S/c1-10-17-14-8-11(16(19)20)6-7-15(14)18(10)12-4-3-5-13(9-12)21-2/h3-9H,1-2H3,(H,19,20)