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3,5-Dimethylthio-4-(2-chlorobenzamidino)-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

3,5-Dimethylthio-4-(2-chlorobenzamidino)-1,2,4-triazole
SpectraBase Compound ID I3k8dVDnS7D
InChI InChI=1S/C11H12ClN5S2/c1-18-10-14-15-11(19-2)17(10)16-9(13)7-5-3-4-6-8(7)12/h3-6H,1-2H3,(H2,13,16)
InChIKey DOQHCLWLBNPOHO-UHFFFAOYSA-N
Mol Weight 313.83 g/mol
Molecular Formula C11H12ClN5S2
Exact Mass 313.022265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwLHcLuLUpI
Name 3,5-Dimethylthio-4-(2-chlorobenzamidino)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClN5S2
InChI InChI=1S/C11H12ClN5S2/c1-18-10-14-15-11(19-2)17(10)16-9(13)7-5-3-4-6-8(7)12/h3-6H,1-2H3,(H2,13,16)
InChIKey DOQHCLWLBNPOHO-UHFFFAOYSA-N
Molecular Weight 313.825 g/mol
SMILES N([n]1c(nnc1SC)SC)C(c1c(Cl)cccc1)=N
SPLASH splash10-0udr-0901000000-ea10f343720e1aa9ce5f
Source of Spectrum SO-0-418-6
Wiley ID 1537903