2-phenylsulfanyl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-phenylsulfanyl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone Openeye Name: 2-phenylsulfanyl-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]ethanone CAS Name: 2-(phenylthio)-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidinyl]ethanone IUPAC Name: 2-phenylsulfanyl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone Traditional Name: 2-(phenylthio)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidino]ethanone Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=CC=C2)C3=CC=NN3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=CC=CC=C2)C3=CC=NN3

InChI

InChI=1S/C16H19N3OS/c20-16(12-21-14-6-2-1-3-7-14)19-10-4-5-13(11-19)15-8-9-17-18-15/h1-3,6-9,13H,4-5,10-12H2,(H,17,18)/t13-/m0/s1