1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N'-(trifluoromethylsulfonyl)pyridin-1-ium-3-carbohydrazide bromide

Systemtic Name: 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N'-(trifluoromethylsulfonyl)pyridin-1-ium-3-carbohydrazide bromide Openeye Name: 1-[2-oxo-2-(2-thienyl)ethyl]-N'-(trifluoromethylsulfonyl)pyridin-1-ium-3-carbohydrazide bromide CAS Name: 1-(2-oxo-2-thiophen-2-ylethyl)-N'-(trifluoromethylsulfonyl)-3-pyridin-1-iumcarbohydrazide bromide IUPAC Name: 1-(2-oxo-2-thiophen-2-ylethyl)-N'-(trifluoromethylsulfonyl)pyridin-1-ium-3-carbohydrazide bromide Traditional Name: 1-[2-keto-2-(2-thienyl)ethyl]-N'-triflyl-pyridin-1-ium-3-carbohydrazide bromide Formula: C13H11BrF3N3O4S2 MolecularWeight: 474.27335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C2=CC=CS2)C(=O)NNS(=O)(=O)C(F)(F)F.[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C2=CC=CS2)C(=O)NNS(=O)(=O)C(F)(F)F.[Br-]

InChI

InChI=1S/C13H10F3N3O4S2.BrH/c14-13(15,16)25(22,23)18-17-12(21)9-3-1-5-19(7-9)8-10(20)11-4-2-6-24-11;/h1-7,18H,8H2;1H