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

Systemtic Name: 1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[5-(4-methoxyphenyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[3-(4-methoxyphenyl)-5-(p-tolyl)-2-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H22N4O2S/c1-16-4-6-18(7-5-16)21-14-20(17-8-10-19(29-2)11-9-17)26-27(21)22(28)15-30-23-24-12-3-13-25-23/h3-13,21H,14-15H2,1-2H3