1-[3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(2-furyl)-7-(2-furylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[3-(2-furanyl)-7-(2-furanylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[7-(2-furfurylidene)-3-(2-furyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(2-pyrimidylthio)ethanone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CO3)C1)C(=O)CSC4=NC=CC=N4)C5=CC=CO5

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CO3)C1)C(=O)CSC4=NC=CC=N4)C5=CC=CO5

InChI

InChI=1S/C22H20N4O3S/c27-19(14-30-22-23-9-4-10-24-22)26-21(18-8-3-12-29-18)17-7-1-5-15(20(17)25-26)13-16-6-2-11-28-16/h2-4,6,8-13,17,21H,1,5,7,14H2