2-[2-(4-methylphenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanamide

Systemtic Name: 2-[2-(4-methylphenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanamide Openeye Name: 2-[3,4-diphenyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide CAS Name: 2-[[2-(4-methylphenyl)-3,4-diphenyl-7-pyrazolo[3,4-d]pyridazinyl]thio]acetamide IUPAC Name: 2-[2-(4-methylphenyl)-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide Traditional Name: 2-[[3,4-diphenyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetamide Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC(=O)N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC(=O)N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5OS/c1-17-12-14-20(15-13-17)31-25(19-10-6-3-7-11-19)22-23(18-8-4-2-5-9-18)28-29-26(24(22)30-31)33-16-21(27)32/h2-15H,16H2,1H3,(H2,27,32)