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

Systemtic Name: ethyl 4-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H19BrN2O3S MolecularWeight: 495.38826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN2O3S/c1-2-30-23(29)12-19(28)15-31-24-21(14-26)20(16-6-4-3-5-7-16)13-22(27-24)17-8-10-18(25)11-9-17/h3-11,13H,2,12,15H2,1H3