ethyl 4-(4-chlorophenyl)sulfanyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)sulfanyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)sulfanyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 4-[(4-chlorophenyl)thio]-2,6-bis(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)sulfanyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 4-[(4-chlorophenyl)thio]-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H9ClF6N2O2S MolecularWeight: 430.752579

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SC2=CC=C(C=C2)Cl)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SC2=CC=C(C=C2)Cl)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H9ClF6N2O2S/c1-2-26-12(25)9-10(14(17,18)19)23-13(15(20,21)22)24-11(9)27-8-5-3-7(16)4-6-8/h3-6H,2H2,1H3