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

View entire compound with spectra: 1 MS (GC)

3,5-Dimethylthio-4-(4-chlorobenzamidino)-1,2,4-triazole
SpectraBase Compound ID 7ET0zxVNP8Y
InChI InChI=1S/C11H12ClN5S2/c1-18-10-14-15-11(19-2)17(10)16-9(13)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H2,13,16)
InChIKey NDTOZJFVHVEZOW-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 DEFeM5LL2iI
Name 3,5-Dimethylthio-4-(4-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)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H2,13,16)
InChIKey NDTOZJFVHVEZOW-UHFFFAOYSA-N
Molecular Weight 313.825 g/mol
SMILES N([n]1c(nnc1SC)SC)C(c1ccc(cc1)Cl)=N
SPLASH splash10-0iki-0903000000-995e84878456c5e5c903
Source of Spectrum SO-0-418-6
Wiley ID 1537907