propan-2-yl 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetic acid isopropyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S/c1-12(2)21-16(20)11-22-17-14(10-18)8-9-15(19-17)13-6-4-3-5-7-13/h3-9,12H,11H2,1-2H3