2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]thio]acetic acid Formula: C20H13FN2O2S MolecularWeight: 364.392823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H13FN2O2S/c21-15-8-6-14(7-9-15)18-10-16(13-4-2-1-3-5-13)17(11-22)20(23-18)26-12-19(24)25/h1-10H,12H2,(H,24,25)