1-[4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-(4-chlorophenyl)-4-[2-(methylthio)-4-pyrimidinyl]-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(4-chlorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[3-(4-chlorophenyl)-4-[2-(methylthio)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C21H22ClN5O2S MolecularWeight: 443.94968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=C(NN=C2C3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)CO

Isomeric SMILES

CSC1=NC=CC(=N1)C2=C(NN=C2C3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)CO

InChI

InChI=1S/C21H22ClN5O2S/c1-30-21-23-9-6-16(24-21)18-19(13-2-4-15(22)5-3-13)25-26-20(18)14-7-10-27(11-8-14)17(29)12-28/h2-6,9,14,28H,7-8,10-12H2,1H3,(H,25,26)