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

Systemtic Name: 2-(4-fluorophenyl)-4-(3-methylsulfanylhexoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-4-(3-methylsulfanylhexoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-4-[3-(methylthio)hexoxy]-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-4-(3-methylsulfanylhexoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-5-(4-mesylphenyl)-4-[3-(methylthio)hexoxy]pyridazin-3-one Formula: C24H27FN2O4S2 MolecularWeight: 490.610583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN2O4S2/c1-4-5-20(32-2)14-15-31-23-22(17-6-12-21(13-7-17)33(3,29)30)16-26-27(24(23)28)19-10-8-18(25)9-11-19/h6-13,16,20H,4-5,14-15H2,1-3H3