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

Systemtic Name: 6-(4-chlorophenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-2-[(2-keto-2-piperidino-ethyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C20H17ClF3N3OS MolecularWeight: 439.88169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3N3OS/c21-14-6-4-13(5-7-14)17-10-16(20(22,23)24)15(11-25)19(26-17)29-12-18(28)27-8-2-1-3-9-27/h4-7,10H,1-3,8-9,12H2