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

Systemtic Name: ethyl 3-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl 3-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]propionic acid ethyl ester Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H22N2O2S/c1-3-28-23(27)13-14-29-24-21(16-25)20(18-7-5-4-6-8-18)15-22(26-24)19-11-9-17(2)10-12-19/h4-12,15H,3,13-14H2,1-2H3