5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Formula: C13H16N3OS- MolecularWeight: 262.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=NN2)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=NN2)[S-]

InChI

InChI=1S/C13H17N3OS/c1-13(2,3)9-4-6-10(7-5-9)17-8-11-14-12(18)16-15-11/h4-7H,8H2,1-3H3,(H2,14,15,16,18)/p-1