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

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C23H29N3OS2 MolecularWeight: 427.62586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS2/c1-22(2,3)17-12-16(13-18(20(17)27)23(4,5)6)29-14-19-24-25-21(28)26(19)15-10-8-7-9-11-15/h7-13,27H,14H2,1-6H3,(H,25,28)