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

Systemtic Name: ethyl 2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropanoate Openeye Name: ethyl 2-[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropanoate CAS Name: 2-[[4-methyl-1-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylpropanoate Traditional Name: 2-[[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]propionic acid ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(C2=C1N(N=C2)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(C2=C1N(N=C2)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C18H20N4O2S/c1-5-24-18(23)13(4)25-17-16-15(12(3)20-21-17)10-19-22(16)14-8-6-11(2)7-9-14/h6-10,13H,5H2,1-4H3