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

Systemtic Name: cyclohexyl 2-[4-(4-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]thio]acetic acid cyclohexyl ester Formula: C26H23ClN2O2S MolecularWeight: 462.99102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C26H23ClN2O2S/c27-20-13-11-18(12-14-20)22-15-24(19-7-3-1-4-8-19)29-26(23(22)16-28)32-17-25(30)31-21-9-5-2-6-10-21/h1,3-4,7-8,11-15,21H,2,5-6,9-10,17H2