N-(4-bromanyl-2-fluoranyl-phenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(methylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C13H8BrF4N3OS MolecularWeight: 410.184733

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C13H8BrF4N3OS/c1-23-12-19-5-7(10(21-12)13(16,17)18)11(22)20-9-3-2-6(14)4-8(9)15/h2-5H,1H3,(H,20,22)