diethyl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanedioate

Systemtic Name: diethyl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanedioate Openeye Name: diethyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanedioate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanedioate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]malonic acid diethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H22N2O4S/c1-3-30-24(28)22(25(29)31-4-2)32-23-20(16-26)19(17-11-7-5-8-12-17)15-21(27-23)18-13-9-6-10-14-18/h5-15,22H,3-4H2,1-2H3