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

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(5R)-5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=CS4

InChI

InChI=1S/C20H18N4O2S2/c1-26-15-7-5-14(6-8-15)17-12-16(18-4-2-11-27-18)23-24(17)19(25)13-28-20-21-9-3-10-22-20/h2-11,17H,12-13H2,1H3/t17-/m1/s1