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1-(1H-indol-3-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SpectraBase Compound ID BjrufL2qUV9
InChI InChI=1S/C13H12N4OS/c1-8-15-13(17-16-8)19-7-12(18)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3,(H,15,16,17)
InChIKey DRUVJVCMHCGKGY-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LonzIAKxuFl
Name 1-(1H-indol-3-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c1-8-15-13(17-16-8)19-7-12(18)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3,(H,15,16,17)
InChIKey DRUVJVCMHCGKGY-UHFFFAOYSA-N
Molecular Weight 272.326 g/mol
SMILES [nH]1c2c(c(C(CSc3[nH]c(nn3)C)=O)c1)cccc2
SPLASH splash10-0006-2900000000-f8294820780e222efe41
Synonyms 1-(1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Ethanone, 1-(1H-indol-3-yl)-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-
Wiley ID 1442063