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

Systemtic Name: 4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C13H17N4OS- MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)[S-]

InChI

InChI=1S/C13H18N4OS/c1-13(2,3)9-4-6-10(7-5-9)18-8-11-15-16-12(19)17(11)14/h4-7H,8,14H2,1-3H3,(H,16,19)/p-1