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

Systemtic Name: methyl 2-[1-(2-methoxyphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoate Openeye Name: methyl 2-[4-isopropyl-1-(2-methoxyphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetate CAS Name: 2-[[1-(2-methoxyphenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-methoxyphenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetate Traditional Name: 2-[[4-isopropyl-1-(2-methoxyphenyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)OC

InChI

InChI=1S/C18H20N4O3S/c1-11(2)16-12-9-19-22(13-7-5-6-8-14(13)24-3)17(12)18(21-20-16)26-10-15(23)25-4/h5-9,11H,10H2,1-4H3