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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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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)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H19N3O5S/c1-26-16-6-3-13(9-18(16)27-2)15-5-8-21(24-23-15)30-11-20(25)22-14-4-7-17-19(10-14)29-12-28-17/h3-10H,11-12H2,1-2H3,(H,22,25)