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4-Ethyl-5-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-1,2,4-triazole-3(2H)-thione
SpectraBase Compound ID 3axXZSUvlIS
InChI InChI=1S/C13H14N6S2/c1-2-18-11(15-16-12(18)20)8-21-13-17-14-9-19(13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,20)
InChIKey ZMTVOFYJSOWSNV-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C13H14N6S2
Exact Mass 318.072137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSijvHhW9b5
Name 4-Ethyl-5-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-1,2,4-triazole-3(2H)-thione
Alternate Name(s) 4-Ethyl-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N6S2
InChI InChI=1S/C13H14N6S2/c1-2-18-11(15-16-12(18)20)8-21-13-17-14-9-19(13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,20)
InChIKey ZMTVOFYJSOWSNV-UHFFFAOYSA-N
Molecular Weight 318.417 g/mol
SMILES N1N=C(N(C1=S)CC)CSc1[n](cnn1)-c1ccccc1
SPLASH splash10-004i-2912000000-e8b2e6121bbaf2ea39c5
Source of Spectrum Y-48-344-4g
Wiley ID 1667681