[(3S)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C20H25N3O2S/c1-4-23-17(12-14(2)21-23)20(25)22-11-7-8-15(13-22)19(24)16-9-5-6-10-18(16)26-3/h5-6,9-10,12,15H,4,7-8,11,13H2,1-3H3/t15-/m0/s1