N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C13H11F2N3O3S MolecularWeight: 327.306546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C13H11F2N3O3S/c1-18-5-4-16-12(18)22-7-11(19)17-8-2-3-9-10(6-8)21-13(14,15)20-9/h2-6H,7H2,1H3,(H,17,19)