2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]-N-(4-sulfamoylphenyl)acetamide Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C21H20N6O3S2/c1-13-19-14(2)27(16-6-4-3-5-7-16)26-20(19)21(25-24-13)31-12-18(28)23-15-8-10-17(11-9-15)32(22,29)30/h3-11H,12H2,1-2H3,(H,23,28)(H2,22,29,30)