2-(2-azanyl-1,3-thiazol-3-ium-3-yl)-1-[4-(trifluoromethyloxy)phenyl]ethanone bromide

Systemtic Name: 2-(2-azanyl-1,3-thiazol-3-ium-3-yl)-1-[4-(trifluoromethyloxy)phenyl]ethanone bromide Openeye Name: 2-(2-aminothiazol-3-ium-3-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone bromide CAS Name: 2-(2-amino-3-thiazol-3-iumyl)-1-[4-(trifluoromethoxy)phenyl]ethanone bromide IUPAC Name: 2-(2-amino-1,3-thiazol-3-ium-3-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone bromide Traditional Name: 2-(2-aminothiazol-3-ium-3-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone bromide Formula: C12H10BrF3N2O2S MolecularWeight: 383.18421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C[N+]2=C(SC=C2)N)OC(F)(F)F.[Br-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[N+]2=C(SC=C2)N)OC(F)(F)F.[Br-]

InChI

InChI=1S/C12H9F3N2O2S.BrH/c13-12(14,15)19-9-3-1-8(2-4-9)10(18)7-17-5-6-20-11(17)16;/h1-6,16H,7H2;1H