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

Systemtic Name: methyl 4-[[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H18N2O3S/c1-26-19-10-7-16(8-11-19)20-12-9-18(13-23)21(24-20)28-14-15-3-5-17(6-4-15)22(25)27-2/h3-12H,14H2,1-2H3