2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]acetic acid Formula: C13H9N3O2S MolecularWeight: 271.29446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1C#N)SCC(=O)O)C2=CC=NC=C2

Isomeric SMILES

C1=CC(=NC(=C1C#N)SCC(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C13H9N3O2S/c14-7-10-1-2-11(9-3-5-15-6-4-9)16-13(10)19-8-12(17)18/h1-6H,8H2,(H,17,18)