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

Systemtic Name: methyl 5-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)OC)C)C

InChI

InChI=1S/C20H20N2O3S/c1-12-9-14(3)16(10-13(12)2)17-6-8-19(22-21-17)26-11-15-5-7-18(25-15)20(23)24-4/h5-10H,11H2,1-4H3