3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-(2-methylsulfanylbenzoyl)-1-piperidyl]propan-1-one CAS Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-3-[2-(methylthio)benzoyl]piperidino]propan-1-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCC(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C(=NN1)C)CCC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3O2S/c1-14-17(15(2)23-22-14)10-11-20(25)24-12-6-7-16(13-24)21(26)18-8-4-5-9-19(18)27-3/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H,22,23)/t16-/m0/s1