2-[[5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-bromo-2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-bromo-2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C15H17BrN3O3S- MolecularWeight: 399.28278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3O3S/c1-15(2,3)10-6-9(16)4-5-11(10)22-7-12-17-14(19-18-12)23-8-13(20)21/h4-6H,7-8H2,1-3H3,(H,20,21)(H,17,18,19)/p-1