4-(2-methylpropoxy)-5-(4-methylsulfinylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 4-(2-methylpropoxy)-5-(4-methylsulfinylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-isobutoxy-5-(4-methylsulfinylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-(2-methylpropoxy)-5-(4-methylsulfinylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-(2-methylpropoxy)-5-(4-methylsulfinylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-isobutoxy-5-(4-methylsulfinylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C17H19F3N2O3S MolecularWeight: 388.40457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N2O3S/c1-11(2)9-25-15-14(12-4-6-13(7-5-12)26(3)24)8-21-22(16(15)23)10-17(18,19)20/h4-8,11H,9-10H2,1-3H3