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acetamide, 2-[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-oxo-2-phenylethyl)-
SpectraBase Compound ID 2Ib23iRnV1K
InChI InChI=1S/C29H30N4O3S/c1-29(2,3)22-14-16-24(17-15-22)36-19-26-31-32-28(33(26)23-12-8-5-9-13-23)37-20-27(35)30-18-25(34)21-10-6-4-7-11-21/h4-17H,18-20H2,1-3H3,(H,30,35)
InChIKey GBURPWCOAZPQPE-UHFFFAOYSA-N
Mol Weight 514.64 g/mol
Molecular Formula C29H30N4O3S
Exact Mass 514.203862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C06AtnqkXoM
Name 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-oxo-2-phenylethyl)acetamide
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Formula C29H30N4O3S
InChI InChI=1S/C29H30N4O3S/c1-29(2,3)22-14-16-24(17-15-22)36-19-26-31-32-28(33(26)23-12-8-5-9-13-23)37-20-27(35)30-18-25(34)21-10-6-4-7-11-21/h4-17H,18-20H2,1-3H3,(H,30,35)
InChIKey GBURPWCOAZPQPE-UHFFFAOYSA-N
Molecular Weight 514.644 g/mol
SMILES N(C(CSc1[n](c(nn1)COc1ccc(C(C)(C)C)cc1)-c1ccccc1)=O)CC(=O)c1ccccc1
SPLASH splash10-069c-6912000000-ffceb58f6603a5f13063
Synonyms 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenacyl-acetamide 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenacyl-ethanamide 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenacyl-acetamide 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenacylacetamide
Wiley ID 1442120