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

Systemtic Name: 5-bromanyl-N-methylsulfonyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carbohydrazide Openeye Name: 5-bromo-N-methylsulfonyl-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbohydrazide CAS Name: 5-bromo-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarbohydrazide IUPAC Name: 5-bromo-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbohydrazide Traditional Name: 5-bromo-1-[2-keto-2-(2-thienyl)ethyl]-N-mesyl-pyridin-1-ium-3-carbohydrazide Formula: C13H13BrN3O4S2+ MolecularWeight: 419.29402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN3O4S2/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/q+1