3-bromanyl-N-butyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-N-butyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-butyl-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-butyl-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-butyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-butyl-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C16H14BrF3N4OS MolecularWeight: 447.27277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

CCCCNC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C16H14BrF3N4OS/c1-2-3-6-21-15(25)13-12(17)14-22-9(10-5-4-7-26-10)8-11(16(18,19)20)24(14)23-13/h4-5,7-8H,2-3,6H2,1H3,(H,21,25)