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

Systemtic Name: 2-(3-oxidanylidene-3-piperidin-1-yl-propyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[3-oxo-3-(1-piperidyl)propyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[3-oxo-3-(1-piperidinyl)propyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(3-keto-3-piperidino-propyl)thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C21H20F3N3OS/c22-21(23,24)17-13-18(15-7-3-1-4-8-15)26-20(16(17)14-25)29-12-9-19(28)27-10-5-2-6-11-27/h1,3-4,7-8,13H,2,5-6,9-12H2