[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: (4-methylsulfanylphenyl)-[(3S)-3-[4-(o-tolyl)-1H-pyrazol-5-yl]-1-piperidyl]methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [4-(methylthio)phenyl]-[(3S)-3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidino]methanone 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)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H25N3OS/c1-16-6-3-4-8-20(16)21-14-24-25-22(21)18-7-5-13-26(15-18)23(27)17-9-11-19(28-2)12-10-17/h3-4,6,8-12,14,18H,5,7,13,15H2,1-2H3,(H,24,25)/t18-/m0/s1