(phenylmethyl) 2-[6-(2-chlorophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[6-(2-chlorophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[6-(2-chlorophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(2-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(2-chlorophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(2-chlorophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetic acid benzyl ester Formula: C27H19ClN2O2S MolecularWeight: 470.96996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H19ClN2O2S/c28-24-14-8-7-13-21(24)25-15-22(20-11-5-2-6-12-20)23(16-29)27(30-25)33-18-26(31)32-17-19-9-3-1-4-10-19/h1-15H,17-18H2