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

Systemtic Name: N-(3-acetamidophenyl)-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[[4-methyl-1-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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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=CC(=C4)NC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2S/c1-14-7-9-19(10-8-14)29-22-20(12-24-29)15(2)27-28-23(22)32-13-21(31)26-18-6-4-5-17(11-18)25-16(3)30/h4-12H,13H2,1-3H3,(H,25,30)(H,26,31)