2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(3-cyano-6-methyl-2-pyridyl)thio]-2-phenyl-acetic acid Formula: C15H12N2O2S MolecularWeight: 284.33298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H12N2O2S/c1-10-7-8-12(9-16)14(17-10)20-13(15(18)19)11-5-3-2-4-6-11/h2-8,13H,1H3,(H,18,19)