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

Systemtic Name: 1-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(5S)-5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C24H24N4O4S MolecularWeight: 464.53676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=C(C(=CC=C3)OC)OC)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C24H24N4O4S/c1-30-17-10-8-16(9-11-17)19-14-20(18-6-4-7-21(31-2)23(18)32-3)28(27-19)22(29)15-33-24-25-12-5-13-26-24/h4-13,20H,14-15H2,1-3H3/t20-/m0/s1