ethyl 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2S/c1-3-27-22(26)15-28-23-20(14-24)19(17-7-5-4-6-8-17)13-21(25-23)18-11-9-16(2)10-12-18/h4-13H,3,15H2,1-2H3