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

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]methyl]-1H-benzimidazole Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC2=NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C(=CN=C1SCC2=NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H20N4O2S/c1-2-25-17(14-7-8-18-19(11-14)27-10-9-26-18)12-22-21(25)28-13-20-23-15-5-3-4-6-16(15)24-20/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,24)