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

Systemtic Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N4O5S/c1-2-24-17(13-5-6-18-19(10-13)30-8-7-29-18)11-23-21(24)31-12-15-4-3-14(20(22)26)9-16(15)25(27)28/h3-6,9-11H,2,7-8,12H2,1H3,(H2,22,26)