2-phenylsulfanyl-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]ethanamide

Systemtic Name: 2-phenylsulfanyl-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]acetamide CAS Name: 2-(phenylthio)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]acetamide Traditional Name: 2-(phenylthio)-N-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]acetamide Formula: C19H20F3N3OS MolecularWeight: 395.44181

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C2=NC=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H20F3N3OS/c20-19(21,22)14-8-9-17(23-11-14)25-10-4-5-15(12-25)24-18(26)13-27-16-6-2-1-3-7-16/h1-3,6-9,11,15H,4-5,10,12-13H2,(H,24,26)