N-[4-bromanyl-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-bromanyl-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C13H9BrF3N3OS MolecularWeight: 392.19427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C13H9BrF3N3OS/c14-8-2-3-10(9(6-8)13(15,16)17)20-11(21)7-22-12-18-4-1-5-19-12/h1-6H,7H2,(H,20,21)