1,5-dimethyl-4-[[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]methyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]methyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[3-(2-methylsulfanylbenzoyl)-1-piperidyl]methyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]methyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[3-[2-(methylthio)benzoyl]piperidino]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)C(=O)C4=CC=CC=C4SC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)C(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C25H29N3O2S/c1-18-22(25(30)28(26(18)2)20-11-5-4-6-12-20)17-27-15-9-10-19(16-27)24(29)21-13-7-8-14-23(21)31-3/h4-8,11-14,19H,9-10,15-17H2,1-3H3