2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]benzoic acid IUPAC Name: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]benzoic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C16H14N2O2S/c1-10-7-11(2)18-15(14(10)8-17)21-9-12-5-3-4-6-13(12)16(19)20/h3-7H,9H2,1-2H3,(H,19,20)