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acetamide, N-[(5-benzoyl-2-hydroxyphenyl)methyl]-2-[[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]thio]-
SpectraBase Compound ID 9tWO3xySWNu
InChI InChI=1S/C19H18N4O4S/c24-15-7-6-13(18(26)12-4-2-1-3-5-12)8-14(15)9-20-17(25)11-28-10-16-21-19(27)23-22-16/h1-8,24H,9-11H2,(H,20,25)(H2,21,22,23,27)
InChIKey FIKKQWDWLDKTJR-UHFFFAOYSA-N
Mol Weight 398.44 g/mol
Molecular Formula C19H18N4O4S
Exact Mass 398.104876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G91Ey8URdMX
Name 2-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]-N-[[2-oxidanyl-5-(phenylcarbonyl)phenyl]methyl]ethanamide
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Formula C19H18N4O4S
InChI InChI=1S/C19H18N4O4S/c24-15-7-6-13(18(26)12-4-2-1-3-5-12)8-14(15)9-20-17(25)11-28-10-16-21-19(27)23-22-16/h1-8,24H,9-11H2,(H,20,25)(H2,21,22,23,27)
InChIKey FIKKQWDWLDKTJR-UHFFFAOYSA-N
Molecular Weight 398.437 g/mol
SMILES N(C(CSCC1=NNC(N1)=O)=O)Cc1c(ccc(c1)C(=O)c1ccccc1)O
SPLASH splash10-006t-9610000000-1a4541fa3c9fd961c980
Synonyms N-(5-benzoyl-2-hydroxy-benzyl)-2-[(5-keto-1,2-dihydro-1,2,4-triazol-3-yl)methylthio]acetamide N-[(5-benzoyl-2-hydroxy-phenyl)methyl]-2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]acetamide N-[(5-benzoyl-2-hydroxyphenyl)methyl]-2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylthio]acetamide
Wiley ID 1455133