5-[3-(2-bromanyl-4-tert-butyl-phenoxy)propyl]-4-ethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[3-(2-bromanyl-4-tert-butyl-phenoxy)propyl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[3-(2-bromo-4-tert-butyl-phenoxy)propyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[3-(2-bromo-4-tert-butylphenoxy)propyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[3-(2-bromo-4-tert-butylphenoxy)propyl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[3-(2-bromo-4-tert-butyl-phenoxy)propyl]-4-ethyl-1,2,4-triazole-3-thiolate Formula: C17H23BrN3OS- MolecularWeight: 397.35302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])CCCOC2=C(C=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCN1C(=NN=C1[S-])CCCOC2=C(C=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C17H24BrN3OS/c1-5-21-15(19-20-16(21)23)7-6-10-22-14-9-8-12(11-13(14)18)17(2,3)4/h8-9,11H,5-7,10H2,1-4H3,(H,20,23)/p-1