cyclopropylmethyl 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: cyclopropylmethyl 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: cyclopropylmethyl 2-(p-tolylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid cyclopropylmethyl ester IUPAC Name: cyclopropylmethyl 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(p-tolylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid cyclopropylmethyl ester Formula: C17H15F3N2O2S MolecularWeight: 368.37341

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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)OCC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=C(C(=N2)C(F)(F)F)C(=O)OCC3CC3

InChI

InChI=1S/C17H15F3N2O2S/c1-10-2-6-12(7-3-10)25-16-21-8-13(14(22-16)17(18,19)20)15(23)24-9-11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3