2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one

Systemtic Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one Openeye Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one CAS Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one IUPAC Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one Traditional Name: 3-(4-mesylphenyl)-2-p-phenetyl-7H-pyrazolo[1,5-b]pyridazin-6-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN3C(=C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN3C(=C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC(=O)N3

InChI

InChI=1S/C21H19N3O4S/c1-3-28-16-8-4-15(5-9-16)21-20(18-12-13-19(25)22-24(18)23-21)14-6-10-17(11-7-14)29(2,26)27/h4-13H,3H2,1-2H3,(H,22,25)