1-[(3S)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-5-(benzofuran-2-yl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-5-(2-benzofuranyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[(3S)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[(5S)-3-(benzofuran-2-yl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-(2-pyridylthio)ethanone Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3O2)C(=O)CSC4=CC=CC=N4)C5=CC=CO5

Isomeric SMILES

C1[C@H](N(N=C1C2=CC3=CC=CC=C3O2)C(=O)CSC4=CC=CC=N4)C5=CC=CO5

InChI

InChI=1S/C22H17N3O3S/c26-22(14-29-21-9-3-4-10-23-21)25-17(19-8-5-11-27-19)13-16(24-25)20-12-15-6-1-2-7-18(15)28-20/h1-12,17H,13-14H2/t17-/m0/s1