4-[2-(4-ethoxyphenyl)-6-methylsulfanyl-pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide

Systemtic Name: 4-[2-(4-ethoxyphenyl)-6-methylsulfanyl-pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide Openeye Name: 4-[2-(4-ethoxyphenyl)-6-methylsulfanyl-pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide CAS Name: 4-[2-(4-ethoxyphenyl)-6-(methylthio)-3-pyrazolo[1,5-b]pyridazinyl]benzenesulfonamide IUPAC Name: 4-[2-(4-ethoxyphenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide Traditional Name: 4-[6-(methylthio)-2-p-phenetyl-pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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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)N)C=CC(=N3)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S2/c1-3-28-16-8-4-15(5-9-16)21-20(14-6-10-17(11-7-14)30(22,26)27)18-12-13-19(29-2)23-25(18)24-21/h4-13H,3H2,1-2H3,(H2,22,26,27)