N-(5-bromanylpyridin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-5-(2-thienyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-5-thiophen-2-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-5-(2-thienyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide Formula: C17H10BrF3N5OS+ MolecularWeight: 469.25841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=[N+]3C(=N2)C=C(N3)C(=O)NC4=NC=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=[N+]3C(=N2)C=C(N3)C(=O)NC4=NC=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C17H9BrF3N5OS/c18-9-3-4-14(22-8-9)24-16(27)11-7-15-23-10(12-2-1-5-28-12)6-13(17(19,20)21)26(15)25-11/h1-8H,(H,22,24,27)/p+1