(2-methylsulfanylphenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]-3-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[1-[(1-phenylpyrazol-4-yl)methyl]-3-piperidyl]methanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)CC3=CN(N=C3)C4=CC=CC=C4

InChI

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