[(3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)CN2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H31N3OS/c1-15(2)25-17(4)21(16(3)23-25)14-24-12-6-7-19(13-24)22(26)18-8-10-20(27-5)11-9-18/h8-11,15,19H,6-7,12-14H2,1-5H3/t19-/m0/s1