ethyl 2-(3-cyano-4-methyl-6-phenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-cyano-4-methyl-6-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3-cyano-4-methyl-6-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-4-methyl-6-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4-methyl-6-phenyl-2-pyridyl)thio]acetic acid ethyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S/c1-3-21-16(20)11-22-17-14(10-18)12(2)9-15(19-17)13-7-5-4-6-8-13/h4-9H,3,11H2,1-2H3