5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Formula: C13H16BrN3OS MolecularWeight: 342.25464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2=NC(=S)NN2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2=NC(=S)NN2

InChI

InChI=1S/C13H16BrN3OS/c1-13(2,3)9-6-8(14)4-5-10(9)18-7-11-15-12(19)17-16-11/h4-6H,7H2,1-3H3,(H2,15,16,17,19)