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

Systemtic Name: ethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylbutanoate Openeye Name: ethyl 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]butanoate CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanylbutanoate Traditional Name: 2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]butyric acid ethyl ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S/c1-4-24(26(29)31-6-3)32-25-22(17-27)21(18-10-8-7-9-11-18)16-23(28-25)19-12-14-20(15-13-19)30-5-2/h7-16,24H,4-6H2,1-3H3