4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-nitrothiophen-2-yl)pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-nitrothiophen-2-yl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-nitro-2-thienyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-nitro-2-thiophenyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(5-nitrothiophen-2-yl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(5-nitro-2-thienyl)pyridazin-3-one Formula: C21H14FN3O5S2 MolecularWeight: 471.481363

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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)C3=CC=C(S3)[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)C3=CC=C(S3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14FN3O5S2/c1-32(29,30)16-8-4-13(5-9-16)17-12-23-24(18-10-11-19(31-18)25(27)28)21(26)20(17)14-2-6-15(22)7-3-14/h2-12H,1H3