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

Systemtic Name: 4-tert-butylsulfanyl-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-tert-butylsulfanyl-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-(tert-butylthio)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-tert-butylsulfanyl-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-(tert-butylthio)-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C17H19F3N2O3S2 MolecularWeight: 420.46957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)SC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H19F3N2O3S2/c1-16(2,3)26-14-13(9-21-22(15(14)23)10-17(18,19)20)11-5-7-12(8-6-11)27(4,24)25/h5-9H,10H2,1-4H3