5-bromanyl-N-methylsulfonyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carbohydrazide bromide

Systemtic Name: 5-bromanyl-N-methylsulfonyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carbohydrazide bromide Openeye Name: 5-bromo-N-methylsulfonyl-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbohydrazide bromide CAS Name: 5-bromo-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarbohydrazide bromide IUPAC Name: 5-bromo-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbohydrazide bromide Traditional Name: 5-bromo-1-[2-keto-2-(2-thienyl)ethyl]-N-mesyl-pyridin-1-ium-3-carbohydrazide bromide Formula: C13H13Br2N3O4S2 MolecularWeight: 499.19802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN3O4S2.BrH/c1-23(20,21)17(15)13(19)9-5-10(14)7-16(6-9)8-11(18)12-3-2-4-22-12;/h2-7H,8,15H2,1H3;1H/q+1;/p-1