N-(4-methylsulfanylphenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-1-[3-(trifluoromethyl)-2-pyridyl]piperidine-3-carboxamide CAS Name: N-[4-(methylthio)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-1-[3-(trifluoromethyl)-2-pyridyl]nipecotamide Formula: C19H20F3N3OS MolecularWeight: 395.44181

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3OS/c1-27-15-8-6-14(7-9-15)24-18(26)13-4-3-11-25(12-13)17-16(19(20,21)22)5-2-10-23-17/h2,5-10,13H,3-4,11-12H2,1H3,(H,24,26)