N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN1C=CN=C1SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H18N4O3S/c1-20-8-6-19-17(20)25-12-16(22)21(7-2-5-18)13-3-4-14-15(11-13)24-10-9-23-14/h3-4,6,8,11H,2,7,9-10,12H2,1H3