5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-methyl-4-nitro-imidazole

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-methyl-4-nitro-imidazole Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-methyl-4-nitro-imidazole CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-methyl-4-nitroimidazole IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-methyl-4-nitroimidazole Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-methyl-4-nitro-imidazole Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-15-8-14-12(16(17)18)13(15)21-9-3-4-10-11(7-9)20-6-2-5-19-10/h3-4,7-8H,2,5-6H2,1H3