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

Systemtic Name: N-cyclohexyl-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[4-methyl-1-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NC4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NC4CCCCC4)C

InChI

InChI=1S/C21H25N5OS/c1-14-8-10-17(11-9-14)26-20-18(12-22-26)15(2)24-25-21(20)28-13-19(27)23-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H,23,27)