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

Systemtic Name: methyl 5-[[1-(4-methylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-isopropyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(4-methylphenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-methylphenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-isopropyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-13(2)19-17-11-23-26(15-7-5-14(3)6-8-15)20(17)21(25-24-19)30-12-16-9-10-18(29-16)22(27)28-4/h5-11,13H,12H2,1-4H3