5-[(4-bromanyl-2,6-dimethyl-phenoxy)methyl]-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-bromanyl-2,6-dimethyl-phenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromo-2,6-dimethyl-phenoxy)methyl]-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromo-2,6-dimethylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromo-2,6-dimethylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromo-2,6-dimethyl-phenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Formula: C11H11BrN3OS- MolecularWeight: 313.19354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=NC(=NN2)[S-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=NC(=NN2)[S-])C)Br

InChI

InChI=1S/C11H12BrN3OS/c1-6-3-8(12)4-7(2)10(6)16-5-9-13-11(17)15-14-9/h3-4H,5H2,1-2H3,(H2,13,14,15,17)/p-1