ethyl 2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(p-tolylmethylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-methylphenyl)methylthio]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-[(4-methylbenzyl)thio]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15F3N2O2S MolecularWeight: 356.36271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)SCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)SCC2=CC=C(C=C2)C

InChI

InChI=1S/C16H15F3N2O2S/c1-3-23-14(22)12-8-20-15(21-13(12)16(17,18)19)24-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3