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

Systemtic Name: methyl 4-[(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-4,6-diphenyl-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C27H20N2O2S MolecularWeight: 436.5249

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H20N2O2S/c1-31-27(30)22-14-12-19(13-15-22)18-32-26-24(17-28)23(20-8-4-2-5-9-20)16-25(29-26)21-10-6-3-7-11-21/h2-16H,18H2,1H3