2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C17H25N3OS MolecularWeight: 319.4649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C=NC(=S)N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C=NC(=S)N2

InChI

InChI=1S/C17H25N3OS/c1-16(2,3)12-7-11(9-20-10-18-15(22)19-20)8-13(14(12)21)17(4,5)6/h7-8,10,21H,9H2,1-6H3,(H,19,22)