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

Systemtic Name: 2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-methyl-1-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]-N-phenethyl-acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C23H23N5OS/c1-16-8-10-19(11-9-16)28-22-20(14-25-28)17(2)26-27-23(22)30-15-21(29)24-13-12-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,29)