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

Systemtic Name: 1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C20H18N4OS2 MolecularWeight: 394.51312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC=CC=N3)C4=CC=CS4

InChI

InChI=1S/C20H18N4OS2/c1-14-5-7-15(8-6-14)17-12-16(18-4-2-11-26-18)23-24(17)19(25)13-27-20-21-9-3-10-22-20/h2-11,17H,12-13H2,1H3