5-(4-tert-butylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-1,2,4-triazole-3-thione Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=S)N=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=S)N=N2

InChI

InChI=1S/C12H13N3S/c1-12(2,3)9-6-4-8(5-7-9)10-13-11(16)15-14-10/h4-7H,1-3H3