1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-propan-1-one

Systemtic Name: 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-propan-1-one Openeye Name: 1-[5-(4-chlorophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-propan-1-one CAS Name: 1-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)-1-propanone IUPAC Name: 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylpropan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-(2-pyrimidylthio)propan-1-one Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3)SC4=NC=CC=N4

Isomeric SMILES

CC(C(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3)SC4=NC=CC=N4

InChI

InChI=1S/C20H17ClN4O2S/c1-13(28-20-22-9-3-10-23-20)19(26)25-17(18-4-2-11-27-18)12-16(24-25)14-5-7-15(21)8-6-14/h2-11,13,17H,12H2,1H3