methyl 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC

InChI

InChI=1S/C22H18N2O2S/c1-15-8-10-17(11-9-15)20-12-18(16-6-4-3-5-7-16)19(13-23)22(24-20)27-14-21(25)26-2/h3-12H,14H2,1-2H3