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

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]acetic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)O

InChI

InChI=1S/C21H16N2O3S/c1-26-16-9-7-15(8-10-16)19-11-17(14-5-3-2-4-6-14)18(12-22)21(23-19)27-13-20(24)25/h2-11H,13H2,1H3,(H,24,25)