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

Systemtic Name: 5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Formula: C14H17BrN3OS- MolecularWeight: 355.27328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2=NN=C(N2C)[S-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2=NN=C(N2C)[S-]

InChI

InChI=1S/C14H18BrN3OS/c1-14(2,3)10-7-9(15)5-6-11(10)19-8-12-16-17-13(20)18(12)4/h5-7H,8H2,1-4H3,(H,17,20)/p-1