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

Systemtic Name: propan-2-yl 4-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O3S/c1-17(2)30-24(29)13-20(28)16-31-25-22(15-26)21(18-9-5-3-6-10-18)14-23(27-25)19-11-7-4-8-12-19/h3-12,14,17H,13,16H2,1-2H3