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

Systemtic Name: 1-[(3R)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3R)-3-(2,3-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3R)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3R)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(5R)-5-(2,3-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H]2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=CS4

InChI

InChI=1S/C21H20N4O3S2/c1-27-17-7-3-6-14(20(17)28-2)16-12-15(18-8-4-11-29-18)24-25(16)19(26)13-30-21-22-9-5-10-23-21/h3-11,16H,12-13H2,1-2H3/t16-/m1/s1