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

Systemtic Name: 2-[[5-[3-(2-bromanyl-4-tert-butyl-phenoxy)propyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[3-(2-bromo-4-tert-butyl-phenoxy)propyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[3-(2-bromo-4-tert-butylphenoxy)propyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[3-(2-bromo-4-tert-butylphenoxy)propyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[3-(2-bromo-4-tert-butyl-phenoxy)propyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C19H25BrN3O3S- MolecularWeight: 455.3891

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])CCCOC2=C(C=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])CCCOC2=C(C=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C19H26BrN3O3S/c1-5-23-16(21-22-18(23)27-12-17(24)25)7-6-10-26-15-9-8-13(11-14(15)20)19(2,3)4/h8-9,11H,5-7,10,12H2,1-4H3,(H,24,25)/p-1