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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]acetamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O4S/c1-13(25)14-2-5-16(6-3-14)22-20(26)11-29-21-9-7-17(23-24-21)15-4-8-18-19(10-15)28-12-27-18/h2-10H,11-12H2,1H3,(H,22,26)