3-(3-cyanopyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(3-cyanopyridin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(3-cyano-2-pyridyl)sulfanyl]propanoic acid CAS Name: 3-[(3-cyano-2-pyridinyl)thio]propanoic acid IUPAC Name: 3-(3-cyanopyridin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(3-cyano-2-pyridyl)thio]propionic acid Formula: C9H8N2O2S MolecularWeight: 208.23702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCC(=O)O)C#N

Isomeric SMILES

C1=CC(=C(N=C1)SCCC(=O)O)C#N

InChI

InChI=1S/C9H8N2O2S/c10-6-7-2-1-4-11-9(7)14-5-3-8(12)13/h1-2,4H,3,5H2,(H,12,13)