3-bromanyl-N-pyridin-4-yl-5-thiophen-2-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide

Systemtic Name: 3-bromanyl-N-pyridin-4-yl-5-thiophen-2-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide Openeye Name: 3-bromo-N-(4-pyridyl)-5-(2-thienyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide CAS Name: 3-bromo-N-pyridin-4-yl-5-thiophen-2-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide IUPAC Name: 3-bromo-N-pyridin-4-yl-5-thiophen-2-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide Traditional Name: 3-bromo-N-(4-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=CC=NC=C4)Br)C(F)(F)F

Isomeric SMILES

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

InChI

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