2-[3-[3-[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone dibromide

Systemtic Name: 2-[3-[3-[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone dibromide Openeye Name: 2-[3-[3-[1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone dibromide CAS Name: 2-[3-[3-[1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumyl]-1H-pyrazol-5-yl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone dibromide IUPAC Name: 2-[3-[3-[1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone dibromide Traditional Name: 2-[3-[3-[1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone dibromide Formula: C25H20Br2N4O2S2 MolecularWeight: 632.3899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C2=CC=CS2)C3=CC(=NN3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CS5.[Br-].[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C2=CC=CS2)C3=CC(=NN3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CS5.[Br-].[Br-]

InChI

InChI=1S/C25H20N4O2S2.2BrH/c30-22(24-7-3-11-32-24)16-28-9-1-5-18(14-28)20-13-21(27-26-20)19-6-2-10-29(15-19)17-23(31)25-8-4-12-33-25;;/h1-15H,16-17H2,(H,26,27);2*1H/q+2;;/p-2