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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-piperonyl-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C23H23N3O3S/c1-14-8-16(3)18(9-15(14)2)19-5-7-23(26-25-19)30-12-22(27)24-11-17-4-6-20-21(10-17)29-13-28-20/h4-10H,11-13H2,1-3H3,(H,24,27)