1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[3-(methylthio)phenyl]isonipecotamide Formula: C19H19ClF3N3OS MolecularWeight: 429.88687

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H19ClF3N3OS/c1-28-15-4-2-3-14(10-15)25-18(27)12-5-7-26(8-6-12)17-16(20)9-13(11-24-17)19(21,22)23/h2-4,9-12H,5-8H2,1H3,(H,25,27)