methyl 5-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N2O5S/c1-22-18(21)15-6-3-12(25-15)9-26-17-7-4-13(19-20-17)11-2-5-14-16(8-11)24-10-23-14/h2-8H,9-10H2,1H3