ethyl 4-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]-3-keto-butyric acid ethyl ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O3S/c1-2-29-23(28)13-19(27)16-30-24-21(15-25)20(17-9-5-3-6-10-17)14-22(26-24)18-11-7-4-8-12-18/h3-12,14H,2,13,16H2,1H3