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

Systemtic Name: ethyl 2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylbutanoate Openeye Name: ethyl 2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylbutanoate CAS Name: 2-[[1-(2-methoxyphenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylbutanoate Traditional Name: 2-[[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]butyric acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(C2=C1N(N=C2)C3=CC=CC=C3OC)C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(C2=C1N(N=C2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C19H22N4O3S/c1-5-16(19(24)26-6-2)27-18-17-13(12(3)21-22-18)11-20-23(17)14-9-7-8-10-15(14)25-4/h7-11,16H,5-6H2,1-4H3