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

Systemtic Name: 5-(5-ethylthiophen-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide Openeye Name: 5-(5-ethyl-2-thienyl)-N-(3-pyridyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide CAS Name: 5-(5-ethyl-2-thiophenyl)-N-(3-pyridinyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide IUPAC Name: 5-(5-ethylthiophen-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide Traditional Name: 5-(5-ethyl-2-thienyl)-N-(3-pyridyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-carboxamide Formula: C19H15F3N5OS+ MolecularWeight: 418.41551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=CC(=[N+]3C(=N2)C=C(N3)C(=O)NC4=CN=CC=C4)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(S1)C2=CC(=[N+]3C(=N2)C=C(N3)C(=O)NC4=CN=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H14F3N5OS/c1-2-12-5-6-15(29-12)13-8-16(19(20,21)22)27-17(25-13)9-14(26-27)18(28)24-11-4-3-7-23-10-11/h3-10H,2H2,1H3,(H,24,28)/p+1