3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]propan-1-one Openeye Name: 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]propan-1-one CAS Name: 3-(1-methyl-4-pyrazolyl)-1-[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[4-(methylthio)benzoyl]piperidino]propan-1-one Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1C=C(C=N1)CCC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H25N3O2S/c1-22-13-15(12-21-22)5-10-19(24)23-11-3-4-17(14-23)20(25)16-6-8-18(26-2)9-7-16/h6-9,12-13,17H,3-5,10-11,14H2,1-2H3/t17-/m0/s1