2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-methyl-imidazole

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-methyl-imidazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-methyl-imidazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-methylimidazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-methylimidazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-methyl-imidazole Formula: C14H15ClN2O2S MolecularWeight: 310.7991

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CN1C=CN=C1SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C14H15ClN2O2S/c1-17-4-3-16-14(17)20-9-10-7-11(15)13-12(8-10)18-5-2-6-19-13/h3-4,7-8H,2,5-6,9H2,1H3