2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]acetonitrile IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]acetonitrile Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN1C(=CN=C1SCC#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H15N3O2S/c1-2-18-12(10-17-15(18)21-8-5-16)11-3-4-13-14(9-11)20-7-6-19-13/h3-4,9-10H,2,6-8H2,1H3