2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C20H18F3N3OS/c21-20(22,23)16-11-17(14-7-3-1-4-8-14)25-19(15(16)12-24)28-13-18(27)26-9-5-2-6-10-26/h1,3-4,7-8,11H,2,5-6,9-10,13H2