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

Systemtic Name: 4-(2-ethylhexoxy)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(2-ethylhexoxy)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(2-ethylhexoxy)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-(2-ethylhexoxy)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(2-ethylhexoxy)-2-(4-fluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C25H29FN2O4S MolecularWeight: 472.572163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC(CC)COC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H29FN2O4S/c1-4-6-7-18(5-2)17-32-24-23(19-8-14-22(15-9-19)33(3,30)31)16-27-28(25(24)29)21-12-10-20(26)11-13-21/h8-16,18H,4-7,17H2,1-3H3