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

Systemtic Name: 1-(4-methoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[1-(2-methoxyphenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]ethanone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-14-17-12-23-26(18-6-4-5-7-20(18)29-3)21(17)22(25-24-14)30-13-19(27)15-8-10-16(28-2)11-9-15/h4-12H,13H2,1-3H3