methyl 5-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-24-16-9-12(10-17(25-2)19(16)26-3)14-6-8-18(22-21-14)29-11-13-5-7-15(28-13)20(23)27-4/h5-10H,11H2,1-4H3