ethyl 2-[(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 2-[(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 2-[[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(3-cyano-4,6-diphenyl-2-pyridyl)thio]methyl]benzoic acid ethyl ester Formula: C28H22N2O2S MolecularWeight: 450.55148

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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=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O2S/c1-2-32-28(31)23-16-10-9-15-22(23)19-33-27-25(18-29)24(20-11-5-3-6-12-20)17-26(30-27)21-13-7-4-8-14-21/h3-17H,2,19H2,1H3