N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(3-pyridyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(3-pyridinyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide Traditional Name: N-piperonyl-2-[[6-(3-pyridyl)pyridazin-3-yl]thio]acetamide Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C19H16N4O3S/c24-18(21-9-13-3-5-16-17(8-13)26-12-25-16)11-27-19-6-4-15(22-23-19)14-2-1-7-20-10-14/h1-8,10H,9,11-12H2,(H,21,24)