N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-(2,5-dimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21N3O5S/c1-27-15-4-7-18(28-2)16(12-15)17-5-8-22(25-24-17)31-13-21(26)23-14-3-6-19-20(11-14)30-10-9-29-19/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,26)