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6-benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
SpectraBase Compound ID BJb8JE1E628
InChI InChI=1S/C11H11N3OS/c1-16-11-12-10(15)9(13-14-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15)
InChIKey UZKXPIHJBZEOAR-UHFFFAOYSA-N
Mol Weight 233.29 g/mol
Molecular Formula C11H11N3OS
Exact Mass 233.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvWXHecnx44
Name 6-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CAS Registry Number 7338-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3OS
InChI InChI=1S/C11H11N3OS/c1-16-11-12-10(15)9(13-14-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15)
InChIKey UZKXPIHJBZEOAR-UHFFFAOYSA-N
Molecular Weight 233.289 g/mol
SMILES N1C(=NC(C(=N1)Cc1ccccc1)=O)SC
SPLASH splash10-0159-9220000000-5cff98651f75771cab13
Synonyms 3-(methylthio)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one 3-Methylsulfanyl-6-(phenylmethyl)-2H-1,2,4-triazin-5-one 6-Benzyl-3-(methylthio)-2H-1,2,4-triazin-5-one 6-Benzyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one
Wiley ID 1458927