[4-[(2-ethyl-6,8-dimethyl-imidazo[1,2-b]pyridazin-3-yl)methyl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[(2-ethyl-6,8-dimethyl-imidazo[1,2-b]pyridazin-3-yl)methyl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[(2-ethyl-6,8-dimethyl-imidazo[1,2-b]pyridazin-3-yl)methyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[(2-ethyl-6,8-dimethyl-3-imidazo[1,2-b]pyridazinyl)methyl]phenyl] ester IUPAC Name: [4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[(2-ethyl-6,8-dimethyl-imidazo[1,2-b]pyridazin-3-yl)methyl]phenyl] ester Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(=N1)C(=CC(=N2)C)C)CC3=CC=C(C=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1=C(N2C(=N1)C(=CC(=N2)C)C)CC3=CC=C(C=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3S/c1-4-15-16(24-17(22-15)11(2)9-12(3)23-24)10-13-5-7-14(8-6-13)27-28(25,26)18(19,20)21/h5-9H,4,10H2,1-3H3