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

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

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCCC(=O)OCC

InChI

InChI=1S/C26H26N2O3S/c1-3-30-21-14-12-20(13-15-21)24-17-22(19-9-6-5-7-10-19)23(18-27)26(28-24)32-16-8-11-25(29)31-4-2/h5-7,9-10,12-15,17H,3-4,8,11,16H2,1-2H3