5-chloranyl-N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-fluoro-2-(trifluoromethyl)benzyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C14H10ClF4N3OS MolecularWeight: 379.760313

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=C(C=C(C=C2)F)C(F)(F)F)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=C(C=C(C=C2)F)C(F)(F)F)Cl

InChI

InChI=1S/C14H10ClF4N3OS/c1-24-13-21-6-10(15)11(22-13)12(23)20-5-7-2-3-8(16)4-9(7)14(17,18)19/h2-4,6H,5H2,1H3,(H,20,23)