ethyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylbutanoate Openeye Name: ethyl 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]butanoate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylbutanoate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]butyric acid ethyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H24N2O3S/c1-4-23(25(28)30-5-2)31-24-21(16-26)20(17-9-7-6-8-10-17)15-22(27-24)18-11-13-19(29-3)14-12-18/h6-15,23H,4-5H2,1-3H3