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

Systemtic Name: 2-(3-cyano-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-(2-thienyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-(2-thienyl)-2-pyridyl]thio]acetic acid Formula: C12H8N2O2S2 MolecularWeight: 276.33412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)O

InChI

InChI=1S/C12H8N2O2S2/c13-6-8-3-4-9(10-2-1-5-17-10)14-12(8)18-7-11(15)16/h1-5H,7H2,(H,15,16)