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

Systemtic Name: ethyl 2-[3-cyano-6-(2,4-dimethylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-(2,4-dimethylphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(2,4-dimethylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(2,4-dimethylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(2,4-dimethylphenyl)-4-phenyl-2-pyridyl]thio]acetic acid ethyl ester Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2S/c1-4-28-23(27)15-29-24-21(14-25)20(18-8-6-5-7-9-18)13-22(26-24)19-11-10-16(2)12-17(19)3/h5-13H,4,15H2,1-3H3