propan-2-yl 4-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]-3-keto-butyric acid isopropyl ester Formula: C25H21BrN2O3S MolecularWeight: 509.41484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H21BrN2O3S/c1-16(2)31-24(30)12-20(29)15-32-25-22(14-27)21(17-6-4-3-5-7-17)13-23(28-25)18-8-10-19(26)11-9-18/h3-11,13,16H,12,15H2,1-2H3