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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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