5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfinylphenyl)pyridazin-3-one

Systemtic Name: 5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfinylphenyl)pyridazin-3-one Openeye Name: 5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfinylphenyl)pyridazin-3-one CAS Name: 5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfinylphenyl)-3-pyridazinone IUPAC Name: 5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfinylphenyl)pyridazin-3-one Traditional Name: 5-(4-fluorophenyl)-6-(4-methylsulfinylphenyl)-2-p-anisyl-pyridazin-3-one Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C=C(C(=N2)C3=CC=C(C=C3)S(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C=C(C(=N2)C3=CC=C(C=C3)S(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O3S/c1-31-21-11-3-17(4-12-21)16-28-24(29)15-23(18-5-9-20(26)10-6-18)25(27-28)19-7-13-22(14-8-19)32(2)30/h3-15H,16H2,1-2H3