4-[2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[1-(2-methoxyphenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]acetyl]amino]benzamide Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H20N6O3S/c1-13-16-11-24-28(17-5-3-4-6-18(17)31-2)20(16)22(27-26-13)32-12-19(29)25-15-9-7-14(8-10-15)21(23)30/h3-11H,12H2,1-2H3,(H2,23,30)(H,25,29)