1-[(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(5R)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C22H19FN4O2S MolecularWeight: 422.475263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=C(C=C3)F)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C22H19FN4O2S/c1-29-18-9-5-15(6-10-18)19-13-20(16-3-7-17(23)8-4-16)27(26-19)21(28)14-30-22-24-11-2-12-25-22/h2-12,20H,13-14H2,1H3/t20-/m1/s1