methyl 4-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxidanylidene-1H-pyridazin-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxidanylidene-1H-pyridazin-3-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridazin-3-yl]methyl]benzoate CAS Name: 4-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridazin-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridazin-3-yl]methyl]benzoate Traditional Name: 4-[[5-(4-fluorophenyl)-6-keto-4-(4-mesylphenyl)-1H-pyridazin-3-yl]methyl]benzoic acid methyl ester Formula: C26H21FN2O5S MolecularWeight: 492.518743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C(=C2C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C(=C2C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN2O5S/c1-34-26(31)19-5-3-16(4-6-19)15-22-23(17-9-13-21(14-10-17)35(2,32)33)24(25(30)29-28-22)18-7-11-20(27)12-8-18/h3-14H,15H2,1-2H3,(H,29,30)