2-[1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C22H15F3N4O2S2 MolecularWeight: 488.50531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N

InChI

InChI=1S/C22H15F3N4O2S2/c1-12(21(31)29-11-19(30)27-15-5-2-3-6-17(15)29)33-20-13(10-26)14(22(23,24)25)9-16(28-20)18-7-4-8-32-18/h2-9,12H,11H2,1H3,(H,27,30)