1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[3-[4-(o-tolyl)-1H-pyrazol-5-yl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidino]-2-(phenylthio)ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CCCN(C3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)C3CCCN(C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-17-8-5-6-12-20(17)21-14-24-25-23(21)18-9-7-13-26(15-18)22(27)16-28-19-10-3-2-4-11-19/h2-6,8,10-12,14,18H,7,9,13,15-16H2,1H3,(H,24,25)