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1-(1H-indol-3-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
SpectraBase Compound ID 3hmugOQmosy
InChI InChI=1S/C12H10N4OS/c17-11(6-18-12-14-7-15-16-12)9-5-13-10-4-2-1-3-8(9)10/h1-5,7,13H,6H2,(H,14,15,16)
InChIKey KZJOXGNPTZTHHF-UHFFFAOYSA-N
Mol Weight 258.3 g/mol
Molecular Formula C12H10N4OS
Exact Mass 258.057532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PKUOAN6O2
Name 1-(1H-indol-3-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
Alternate Name(s) 1-(1H-indol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone 1-(1H-indol-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Ethanone, 1-(1H-indol-3-yl)-2-(4H-[1,2,4]triazol-3-ylsulfanyl)-
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Formula C12H10N4OS
InChI InChI=1S/C12H10N4OS/c17-11(6-18-12-14-7-15-16-12)9-5-13-10-4-2-1-3-8(9)10/h1-5,7,13H,6H2,(H,14,15,16)
InChIKey KZJOXGNPTZTHHF-UHFFFAOYSA-N
Molecular Weight 258.299 g/mol
SMILES [nH]1c2c(c(C(CSc3[nH]cnn3)=O)c1)cccc2
SPLASH splash10-0006-3900000000-2a6014f56b1833f45bd8
Wiley ID 1441943