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

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)C2=CC(=C(C=C2)OC)F)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)C2=CC(=C(C=C2)OC)F)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21FN2O4S/c1-3-25-17(14-4-7-20-21(11-14)29-9-8-28-20)12-24-22(25)30-13-18(26)15-5-6-19(27-2)16(23)10-15/h4-7,10-12H,3,8-9,13H2,1-2H3