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

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H12ClF3N2O2S MolecularWeight: 376.78119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClF3N2O2S/c1-2-23-13(22)11-7-20-14(21-12(11)15(17,18)19)24-8-9-3-5-10(16)6-4-9/h3-7H,2,8H2,1H3