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2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
SpectraBase Compound ID 3aXOwu6AuD5
InChI InChI=1S/C14H14N4OS/c1-2-13-16-14(18-17-13)20-8-12(19)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,2,8H2,1H3,(H,16,17,18)
InChIKey IFLRGVHRKASCAD-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C14H14N4OS
Exact Mass 286.088832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bJhY1FVns7
Name 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
Alternate Name(s) 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)ethanone Ethanone, 2-(5-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(1H-indol-3-yl)-
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Formula C14H14N4OS
InChI InChI=1S/C14H14N4OS/c1-2-13-16-14(18-17-13)20-8-12(19)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,2,8H2,1H3,(H,16,17,18)
InChIKey IFLRGVHRKASCAD-UHFFFAOYSA-N
Molecular Weight 286.353 g/mol
SMILES [nH]1c2c(c(C(CSc3[nH]c(nn3)CC)=O)c1)cccc2
SPLASH splash10-0006-4900000000-ba335c736b9600b363da
Wiley ID 1441924