4-(2,2-dimethylpropoxy)-5-(4-methylsulfanylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 4-(2,2-dimethylpropoxy)-5-(4-methylsulfanylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-(2,2-dimethylpropoxy)-5-(4-methylsulfanylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-(2,2-dimethylpropoxy)-5-[4-(methylthio)phenyl]-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-(2,2-dimethylpropoxy)-5-(4-methylsulfanylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-[4-(methylthio)phenyl]-4-neopentyloxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C18H21F3N2O2S MolecularWeight: 386.43175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)COC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H21F3N2O2S/c1-17(2,3)11-25-15-14(12-5-7-13(26-4)8-6-12)9-22-23(16(15)24)10-18(19,20)21/h5-9H,10-11H2,1-4H3