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

Systemtic Name: 4-azido-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-azido-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-azido-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-azido-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-azido-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C13H10F3N5O3S MolecularWeight: 373.31041

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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)N=[N+]=[N-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)N=[N+]=[N-]

InChI

InChI=1S/C13H10F3N5O3S/c1-25(23,24)9-4-2-8(3-5-9)10-6-18-21(7-13(14,15)16)12(22)11(10)19-20-17/h2-6H,7H2,1H3