2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C21H19FN4O5S MolecularWeight: 458.462763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19FN4O5S/c1-2-25-17(13-3-6-18-19(9-13)31-8-7-30-18)11-23-21(25)32-12-20(27)24-16-10-14(26(28)29)4-5-15(16)22/h3-6,9-11H,2,7-8,12H2,1H3,(H,24,27)