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

Systemtic Name: 1-[(3S)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-5-(benzofuran-2-yl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-5-(2-benzofuranyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(5S)-3-(benzofuran-2-yl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3S/c26-20(13-29-21-22-8-4-9-23-21)25-16(18-7-3-10-27-18)12-15(24-25)19-11-14-5-1-2-6-17(14)28-19/h1-11,16H,12-13H2/t16-/m0/s1