methyl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid methyl ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O2S/c1-25-20(24)14-26-21-18(13-22)17(15-8-4-2-5-9-15)12-19(23-21)16-10-6-3-7-11-16/h2-12H,14H2,1H3