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

Systemtic Name: 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(5S)-5-(4-methoxyphenyl)-3-phenyl-3-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)CSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CSC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-28-18-10-8-17(9-11-18)20-14-19(16-6-3-2-4-7-16)25-26(20)21(27)15-29-22-23-12-5-13-24-22/h2-14,20,25H,15H2,1H3/t20-/m0/s1