1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Openeye Name: 1-[(3S)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one CAS Name: 1-[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-3-(1,3,5-trimethyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Traditional Name: 1-[(3S)-3-[4-(methylthio)benzoyl]piperidino]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H29N3O2S/c1-15-20(16(2)24(3)23-15)11-12-21(26)25-13-5-6-18(14-25)22(27)17-7-9-19(28-4)10-8-17/h7-10,18H,5-6,11-14H2,1-4H3/t18-/m0/s1