6-(4-fluorophenyl)-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-fluorophenyl)-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-fluorophenyl)-2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-fluorophenyl)-2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-fluorophenyl)-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-fluorophenyl)-2-[[2-keto-2-(2-methylpiperidino)ethyl]thio]-4-(trifluoromethyl)nicotinonitrile Formula: C21H19F4N3OS MolecularWeight: 437.453673

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C(F)(F)F)C#N

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C(F)(F)F)C#N

InChI

InChI=1S/C21H19F4N3OS/c1-13-4-2-3-9-28(13)19(29)12-30-20-16(11-26)17(21(23,24)25)10-18(27-20)14-5-7-15(22)8-6-14/h5-8,10,13H,2-4,9,12H2,1H3