N'-methylsulfonyl-1-[2-(4-nitrothiophen-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbohydrazide bromide

Systemtic Name: N'-methylsulfonyl-1-[2-(4-nitrothiophen-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbohydrazide bromide Openeye Name: N'-methylsulfonyl-1-[2-(4-nitro-2-thienyl)-2-oxo-ethyl]pyridin-1-ium-3-carbohydrazide bromide CAS Name: N'-methylsulfonyl-1-[2-(4-nitro-2-thiophenyl)-2-oxoethyl]-3-pyridin-1-iumcarbohydrazide bromide IUPAC Name: N'-methylsulfonyl-1-[2-(4-nitrothiophen-2-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide bromide Traditional Name: 1-[2-keto-2-(4-nitro-2-thienyl)ethyl]-N'-mesyl-pyridin-1-ium-3-carbohydrazide bromide Formula: C13H13BrN4O6S2 MolecularWeight: 465.29952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6S2.BrH/c1-25(22,23)15-14-13(19)9-3-2-4-16(6-9)7-11(18)12-5-10(8-24-12)17(20)21;/h2-6,8,15H,7H2,1H3;1H