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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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