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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C22H21N3O3S/c1-13-8-15(3)17(9-14(13)2)18-5-7-22(25-24-18)29-11-21(26)23-16-4-6-19-20(10-16)28-12-27-19/h4-10H,11-12H2,1-3H3,(H,23,26)