1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[5-(benzofuran-2-yl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[5-(2-benzofuranyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[3-(benzofuran-2-yl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3O2)C(=O)CSC4=CC=CC=[N+]4[O-])C5=CC=CO5

Isomeric SMILES

C1C(N(N=C1C2=CC3=CC=CC=C3O2)C(=O)CSC4=CC=CC=[N+]4[O-])C5=CC=CO5

InChI

InChI=1S/C22H17N3O4S/c26-21(14-30-22-9-3-4-10-24(22)27)25-17(19-8-5-11-28-19)13-16(23-25)20-12-15-6-1-2-7-18(15)29-20/h1-12,17H,13-14H2