1-[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-benzyl-1H-pyrazol-5-yl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-benzyl-1H-pyrazol-5-yl)piperidino]-2-(2-pyrimidylthio)ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C21H23N5OS/c27-19(15-28-21-22-9-4-10-23-21)26-11-7-17(8-12-26)20-18(14-24-25-20)13-16-5-2-1-3-6-16/h1-6,9-10,14,17H,7-8,11-13,15H2,(H,24,25)