5-[[(2,4-ditert-butyl-6-oxidanyl-phenyl)methylamino]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Systemtic Name: 5-[[(2,4-ditert-butyl-6-oxidanyl-phenyl)methylamino]methyl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[[(2,4-ditert-butyl-6-hydroxy-phenyl)methylamino]methyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[[(2,4-ditert-butyl-6-hydroxyphenyl)methylamino]methyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[[(2,4-ditert-butyl-6-hydroxyphenyl)methylamino]methyl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[[(2,4-ditert-butyl-6-hydroxy-benzyl)amino]methyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C18H28N4O2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)CNCC2=NC(=O)NN2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)CNCC2=NC(=O)NN2)C(C)(C)C

InChI

InChI=1S/C18H28N4O2/c1-17(2,3)11-7-13(18(4,5)6)12(14(23)8-11)9-19-10-15-20-16(24)22-21-15/h7-8,19,23H,9-10H2,1-6H3,(H2,20,21,22,24)