3-[[1,2-dimethyl-3,6-bis(oxidanylidene)-5-[[2,2,2-tris(fluoranyl)-1-thiophen-2-yl-ethyl]amino]pyridazin-4-yl]amino]-N,N-dimethyl-2-oxidanyl-benzamide

Systemtic Name: 3-[[1,2-dimethyl-3,6-bis(oxidanylidene)-5-[[2,2,2-tris(fluoranyl)-1-thiophen-2-yl-ethyl]amino]pyridazin-4-yl]amino]-N,N-dimethyl-2-oxidanyl-benzamide Openeye Name: 3-[[1,2-dimethyl-3,6-dioxo-5-[[2,2,2-trifluoro-1-(2-thienyl)ethyl]amino]pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethyl-benzamide CAS Name: 3-[[1,2-dimethyl-3,6-dioxo-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]-4-pyridazinyl]amino]-2-hydroxy-N,N-dimethylbenzamide IUPAC Name: 3-[[1,2-dimethyl-3,6-dioxo-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide Traditional Name: 3-[[3,6-diketo-1,2-dimethyl-5-[[2,2,2-trifluoro-1-(2-thienyl)ethyl]amino]pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethyl-benzamide Formula: C21H22F3N5O4S MolecularWeight: 497.49069

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C(=O)N1C)NC(C2=CC=CS2)C(F)(F)F)NC3=CC=CC(=C3O)C(=O)N(C)C

Isomeric SMILES

CN1C(=O)C(=C(C(=O)N1C)NC(C2=CC=CS2)C(F)(F)F)NC3=CC=CC(=C3O)C(=O)N(C)C

InChI

InChI=1S/C21H22F3N5O4S/c1-27(2)18(31)11-7-5-8-12(16(11)30)25-14-15(20(33)29(4)28(3)19(14)32)26-17(21(22,23)24)13-9-6-10-34-13/h5-10,17,25-26,30H,1-4H3