2-[[5-[(3-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(3-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(3-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(3-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C11H9BrN3O3S- MolecularWeight: 343.17646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCC2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCC2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C11H10BrN3O3S/c12-7-2-1-3-8(4-7)18-5-9-13-11(15-14-9)19-6-10(16)17/h1-4H,5-6H2,(H,16,17)(H,13,14,15)/p-1