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

Systemtic Name: methyl 2-[1-(3,4-dimethylphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoate Openeye Name: methyl 2-[1-(3,4-dimethylphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetate CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3,4-dimethylphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetate Traditional Name: 2-[[1-(3,4-dimethylphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]acetic acid methyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-10-5-6-13(7-11(10)2)21-16-14(8-18-21)12(3)19-20-17(16)24-9-15(22)23-4/h5-8H,9H2,1-4H3