2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoic acid

Systemtic Name: 2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoic acid Openeye Name: 2-[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetic acid CAS Name: 2-[[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]acetic acid IUPAC Name: 2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetic acid Traditional Name: 2-[[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetic acid Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC(=O)O)C)C

InChI

InChI=1S/C16H16N4O2S/c1-9-4-6-12(7-5-9)20-11(3)14-10(2)17-18-16(15(14)19-20)23-8-13(21)22/h4-7H,8H2,1-3H3,(H,21,22)