ethyl 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3-chloro-4-fluoro-phenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-4-fluorophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H9ClF4N2O2S MolecularWeight: 380.745073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)SC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)SC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H9ClF4N2O2S/c1-2-23-12(22)8-6-20-13(21-11(8)14(17,18)19)24-7-3-4-10(16)9(15)5-7/h3-6H,2H2,1H3