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1,3,5-triazine-2,4-diamine, 6-[[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-N~2~-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,3,5-triazine-2,4-diamine, 6-[[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-N~2~-
SpectraBase Compound ID 3rELOYBa81P
InChI InChI=1S/C29H30N8OS/c1-29(2,3)20-14-16-23(17-15-20)38-18-25-35-36-28(37(25)22-12-8-5-9-13-22)39-19-24-32-26(30)34-27(33-24)31-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H3,30,31,32,33,34)
InChIKey APWXUUUOFBYSOS-UHFFFAOYSA-N
Mol Weight 538.67 g/mol
Molecular Formula C29H30N8OS
Exact Mass 538.226329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PMKwLyGUmb
Name 6-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N8OS
InChI InChI=1S/C29H30N8OS/c1-29(2,3)20-14-16-23(17-15-20)38-18-25-35-36-28(37(25)22-12-8-5-9-13-22)39-19-24-32-26(30)34-27(33-24)31-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H3,30,31,32,33,34)
InChIKey APWXUUUOFBYSOS-UHFFFAOYSA-N
Molecular Weight 538.674 g/mol
SMILES N(c1nc(nc(n1)CSc1[n](c(nn1)COc1ccc(C(C)(C)C)cc1)-c1ccccc1)N)c1ccccc1
SPLASH splash10-000i-4923000000-630bccd20a5aa9721101
Synonyms 6-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine 6-[[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine [4-amino-6-[[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-s-triazin-2-yl]-phenyl-amine
Wiley ID 1461006