(4-chlorophenyl)methyl 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: (4-chlorophenyl)methyl 2-(p-tolylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(p-tolylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (4-chlorobenzyl) ester Formula: C20H14ClF3N2O2S MolecularWeight: 438.85057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=C(C(=N2)C(F)(F)F)C(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=C(C(=N2)C(F)(F)F)C(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H14ClF3N2O2S/c1-12-2-8-15(9-3-12)29-19-25-10-16(17(26-19)20(22,23)24)18(27)28-11-13-4-6-14(21)7-5-13/h2-10H,11H2,1H3