N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N3O3S/c1-16-5-4-14-13(16)20-7-12(17)15-9-2-3-10-11(6-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,15,17)