methyl 2-[1-(4-methylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(4-methylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoate Openeye Name: methyl 2-[4-isopropyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetate CAS Name: 2-[[1-(4-methylphenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-methylphenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetate Traditional Name: 2-[[4-isopropyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetic acid methyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-11(2)16-14-9-19-22(13-7-5-12(3)6-8-13)17(14)18(21-20-16)25-10-15(23)24-4/h5-9,11H,10H2,1-4H3