methyl 5-[[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-methyl-1-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC4=CC=C(O4)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC4=CC=C(O4)C(=O)OC)C

InChI

InChI=1S/C20H18N4O3S/c1-12-4-6-14(7-5-12)24-18-16(10-21-24)13(2)22-23-19(18)28-11-15-8-9-17(27-15)20(25)26-3/h4-10H,11H2,1-3H3