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

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C20H19F3N4OS MolecularWeight: 420.45127

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C20H19F3N4OS/c1-26-7-9-27(10-8-26)18(28)13-29-19-15(12-24)16(20(21,22)23)11-17(25-19)14-5-3-2-4-6-14/h2-6,11H,7-10,13H2,1H3