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

Systemtic Name: (2-methylsulfanylphenyl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[3-(4-phenyl-1H-pyrazol-5-yl)-1-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[3-(4-phenyl-1H-pyrazol-5-yl)-1-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidino]methanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCCC(C2)C3=C(C=NN3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCCC(C2)C3=C(C=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-27-20-12-6-5-11-18(20)22(26)25-13-7-10-17(15-25)21-19(14-23-24-21)16-8-3-2-4-9-16/h2-6,8-9,11-12,14,17H,7,10,13,15H2,1H3,(H,23,24)