N'-methylsulfonyl-1-[2-(5-nitrothiophen-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbohydrazide chloride

Systemtic Name: N'-methylsulfonyl-1-[2-(5-nitrothiophen-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbohydrazide chloride Openeye Name: N'-methylsulfonyl-1-[2-(5-nitro-2-thienyl)-2-oxo-ethyl]pyridin-1-ium-3-carbohydrazide chloride CAS Name: N'-methylsulfonyl-1-[2-(5-nitro-2-thiophenyl)-2-oxoethyl]-3-pyridin-1-iumcarbohydrazide chloride IUPAC Name: N'-methylsulfonyl-1-[2-(5-nitrothiophen-2-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide chloride Traditional Name: 1-[2-keto-2-(5-nitro-2-thienyl)ethyl]-N'-mesyl-pyridin-1-ium-3-carbohydrazide chloride Formula: C13H13ClN4O6S2 MolecularWeight: 420.84852

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NNC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=C(S2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CS(=O)(=O)NNC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=C(S2)[N+](=O)[O-].[Cl-]

InChI

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