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

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(4-nitrobenzyl)pyridazin-3-one Formula: C24H18FN3O5S MolecularWeight: 479.480223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C24H18FN3O5S/c1-34(32,33)21-12-6-17(7-13-21)22-14-26-27(15-16-2-10-20(11-3-16)28(30)31)24(29)23(22)18-4-8-19(25)9-5-18/h2-14H,15H2,1H3