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

Systemtic Name: (4-methylsulfanylphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone Openeye Name: [1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [4-(methylthio)phenyl]-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidinyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone Traditional Name: [1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C1=NNC(=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H27N3OS/c1-14(2)19-11-17(21-22-19)13-23-10-4-5-16(12-23)20(24)15-6-8-18(25-3)9-7-15/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3,(H,21,22)