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3'-Ethyl-5-methyl-2-(p-tolyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one

View entire compound with spectra: 1 MS (GC)

3'-Ethyl-5-methyl-2-(p-tolyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one
SpectraBase Compound ID 3NaUwLKsJ0U
InChI InChI=1S/C14H16N6OS/c1-4-12-15-16-13(22)20(12)19-10(3)17-18(14(19)21)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,16,22)
InChIKey JHVBHJUCJOXXCX-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C14H16N6OS
Exact Mass 316.11063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jJVxWEXaJf
Name 3'-Ethyl-5-methyl-2-(p-tolyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N6OS
InChI InChI=1S/C14H16N6OS/c1-4-12-15-16-13(22)20(12)19-10(3)17-18(14(19)21)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,16,22)
InChIKey JHVBHJUCJOXXCX-UHFFFAOYSA-N
Molecular Weight 316.383 g/mol
SMILES N1N=C(N(C1=S)N1C(N(c2ccc(cc2)C)N=C1C)=O)CC
SPLASH splash10-014i-1901000000-295befc35129e5fa6f98
Source of Spectrum QA-71-335-10
Wiley ID 1612101