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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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