3-(3-bromophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-(3-bromophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(3-bromophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,2,4-oxadiazole CAS Name: 3-(3-bromophenyl)-5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-bromophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(3-bromophenyl)-5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1,2,4-oxadiazole Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC(=NO3)C4=CC(=CC=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC(=NO3)C4=CC(=CC=C4)Br)OC1

InChI

InChI=1S/C18H15BrN2O3S/c19-13-4-1-3-12(9-13)18-20-17(24-21-18)11-25-14-5-6-15-16(10-14)23-8-2-7-22-15/h1,3-6,9-10H,2,7-8,11H2