5-(4-methylsulfonylphenyl)-4-phenylmethoxy-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 5-(4-methylsulfonylphenyl)-4-phenylmethoxy-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-benzyloxy-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 5-(4-methylsulfonylphenyl)-4-phenylmethoxy-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 5-(4-methylsulfonylphenyl)-4-phenylmethoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-benzoxy-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17F3N2O4S/c1-30(27,28)16-9-7-15(8-10-16)17-11-24-25(13-20(21,22)23)19(26)18(17)29-12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3