2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-phenylethanone IUPAC Name: 2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]-1-phenyl-ethanone Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H20N4OS/c1-14-9-11-18(12-10-14)26-16(3)20-15(2)23-24-22(21(20)25-26)28-13-19(27)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3