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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H21N3O3S/c1-14-3-5-17(15(2)9-14)18-6-8-22(25-24-18)29-12-21(26)23-11-16-4-7-19-20(10-16)28-13-27-19/h3-10H,11-13H2,1-2H3,(H,23,26)