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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)OC

InChI

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