4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-methylthiophen-2-yl)pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-methylthiophen-2-yl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-methyl-2-thienyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-methyl-2-thiophenyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-methylthiophen-2-yl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(5-methyl-2-thienyl)pyridazin-3-one Formula: C22H17FN2O3S2 MolecularWeight: 440.510383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)N2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(S1)N2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O3S2/c1-14-3-12-20(29-14)25-22(26)21(16-4-8-17(23)9-5-16)19(13-24-25)15-6-10-18(11-7-15)30(2,27)28/h3-13H,1-2H3