(2-methylsulfanylphenyl)-[1-[3-(pyrazol-1-ylmethyl)phenyl]carbonylpiperidin-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[1-[3-(pyrazol-1-ylmethyl)phenyl]carbonylpiperidin-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]-3-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[1-[oxo-[3-(1-pyrazolylmethyl)phenyl]methyl]-3-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[1-[3-(pyrazol-1-ylmethyl)benzoyl]-3-piperidyl]methanone Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)CN4C=CC=N4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)CN4C=CC=N4

InChI

InChI=1S/C24H25N3O2S/c1-30-22-11-3-2-10-21(22)23(28)20-9-5-13-26(17-20)24(29)19-8-4-7-18(15-19)16-27-14-6-12-25-27/h2-4,6-8,10-12,14-15,20H,5,9,13,16-17H2,1H3