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

Systemtic Name: 2-[[5-[(2-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H10BrN3O3S MolecularWeight: 344.1844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC2=NC(=NN2)SCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)OCC2=NC(=NN2)SCC(=O)O)Br

InChI

InChI=1S/C11H10BrN3O3S/c12-7-3-1-2-4-8(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)