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

Systemtic Name: ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 2-[[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]methyl]benzoic acid ethyl ester Formula: C29H24N2O3S MolecularWeight: 480.57746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C29H24N2O3S/c1-3-34-29(32)24-12-8-7-11-22(24)19-35-28-26(18-30)25(20-13-15-23(33-2)16-14-20)17-27(31-28)21-9-5-4-6-10-21/h4-17H,3,19H2,1-2H3