N-(4-ethanoylphenyl)-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-methyl-1-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NC4=CC=C(C=C4)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NC4=CC=C(C=C4)C(=O)C)C

InChI

InChI=1S/C23H21N5O2S/c1-14-4-10-19(11-5-14)28-22-20(12-24-28)15(2)26-27-23(22)31-13-21(30)25-18-8-6-17(7-9-18)16(3)29/h4-12H,13H2,1-3H3,(H,25,30)