3-bromanyl-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-[2-(methylthio)phenyl]-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-[2-(methylthio)phenyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C21H14BrF3N4OS MolecularWeight: 507.32627

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H14BrF3N4OS/c1-31-15-10-6-5-9-13(15)27-20(30)18-17(22)19-26-14(12-7-3-2-4-8-12)11-16(21(23,24)25)29(19)28-18/h2-11H,1H3,(H,27,30)