4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-(furan-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-(furan-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-(3-furyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(3-furanyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-(3-furyl)-1H-1,2,4-triazole-5-thione Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=NNC2=S)C3=COC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=NNC2=S)C3=COC=C3

InChI

InChI=1S/C20H25N3O2S/c1-19(2,3)14-9-13(10-15(16(14)24)20(4,5)6)23-17(21-22-18(23)26)12-7-8-25-11-12/h7-11,24H,1-6H3,(H,22,26)