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

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C18H17F3N4OS2 MolecularWeight: 426.47899

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C18H17F3N4OS2/c1-24-4-6-25(7-5-24)16(26)11-28-17-12(10-22)13(18(19,20)21)9-14(23-17)15-3-2-8-27-15/h2-3,8-9H,4-7,11H2,1H3