2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-4-(3-oxidanylidenebutoxy)pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-4-(3-oxidanylidenebutoxy)pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-4-(3-oxobutoxy)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-4-(3-oxobutoxy)-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-4-(3-oxobutoxy)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-4-(3-ketobutoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H19FN2O5S/c1-14(25)11-12-29-20-19(15-3-9-18(10-4-15)30(2,27)28)13-23-24(21(20)26)17-7-5-16(22)6-8-17/h3-10,13H,11-12H2,1-2H3