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

Systemtic Name: 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyridin-2-ylsulfanyl-propan-1-one Openeye Name: 1-[5-(4-chlorophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridylsulfanyl)propan-1-one CAS Name: 1-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridinylthio)-1-propanone IUPAC Name: 1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyridin-2-ylsulfanylpropan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-(2-pyridylthio)propan-1-one Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S/c1-14(28-20-6-2-3-11-23-20)21(26)25-18(19-5-4-12-27-19)13-17(24-25)15-7-9-16(22)10-8-15/h2-12,14,18H,13H2,1H3