4-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-[[4-(methylthio)phenyl]methyl]-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-[4-(methylthio)benzyl]pyridazin-3-one Formula: C25H21FN2O3S2 MolecularWeight: 480.574243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O3S2/c1-32-21-11-3-17(4-12-21)16-28-25(29)24(19-5-9-20(26)10-6-19)23(15-27-28)18-7-13-22(14-8-18)33(2,30)31/h3-15H,16H2,1-2H3