1-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]-N-methylsulfonyl-pyridin-1-ium-3-carbohydrazide bromide

Systemtic Name: 1-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]-N-methylsulfonyl-pyridin-1-ium-3-carbohydrazide bromide Openeye Name: 1-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]-N-methylsulfonyl-pyridin-1-ium-3-carbohydrazide bromide CAS Name: 1-[2-(5-chloro-2-thiophenyl)-2-oxoethyl]-N-methylsulfonyl-3-pyridin-1-iumcarbohydrazide bromide IUPAC Name: 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylsulfonylpyridin-1-ium-3-carbohydrazide bromide Traditional Name: 1-[2-(5-chloro-2-thienyl)-2-keto-ethyl]-N-mesyl-pyridin-1-ium-3-carbohydrazide bromide Formula: C13H13BrClN3O4S2 MolecularWeight: 454.74702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN3O4S2.BrH/c1-23(20,21)17(15)13(19)9-3-2-6-16(7-9)8-10(18)11-4-5-12(14)22-11;/h2-7H,8,15H2,1H3;1H/q+1;/p-1