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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

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