[2-(3-oxidanylidene-2-phenyl-6-pyridin-2-yl-4,5-dihydropyridazin-4-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(3-oxidanylidene-2-phenyl-6-pyridin-2-yl-4,5-dihydropyridazin-4-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-[3-oxo-2-phenyl-6-(2-pyridyl)-4,5-dihydropyridazin-4-yl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[3-oxo-2-phenyl-6-(2-pyridinyl)-4,5-dihydropyridazin-4-yl]phenyl] ester IUPAC Name: [2-(3-oxo-2-phenyl-6-pyridin-2-yl-4,5-dihydropyridazin-4-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-[3-keto-2-phenyl-6-(2-pyridyl)-4,5-dihydropyridazin-4-yl]phenyl] ester Formula: C22H16F3N3O4S MolecularWeight: 475.44035

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(N=C1C2=CC=CC=N2)C3=CC=CC=C3)C4=CC=CC=C4OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C(C(=O)N(N=C1C2=CC=CC=N2)C3=CC=CC=C3)C4=CC=CC=C4OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O4S/c23-22(24,25)33(30,31)32-20-12-5-4-10-16(20)17-14-19(18-11-6-7-13-26-18)27-28(21(17)29)15-8-2-1-3-9-15/h1-13,17H,14H2