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

Systemtic Name: 5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]-1,3,4-oxadiazole-2-thiolate Openeye Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-1,3,4-oxadiazole-2-thiolate CAS Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-1,3,4-oxadiazole-2-thiolate IUPAC Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-1,3,4-oxadiazole-2-thiolate Traditional Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-1,3,4-oxadiazole-2-thiolate Formula: C13H14BrN2O2S- MolecularWeight: 342.23146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2=NN=C(O2)[S-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2=NN=C(O2)[S-]

InChI

InChI=1S/C13H15BrN2O2S/c1-13(2,3)9-6-8(14)4-5-10(9)17-7-11-15-16-12(19)18-11/h4-6H,7H2,1-3H3,(H,16,19)/p-1