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4-Benzyl-5-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID CJXSDNY5oUz
InChI InChI=1S/C15H12ClN3S/c16-13-8-6-12(7-9-13)14-17-18-15(20)19(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)
InChIKey ZGCSGEGQJRCSDB-UHFFFAOYSA-N
Mol Weight 301.79 g/mol
Molecular Formula C15H12ClN3S
Exact Mass 301.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXDZw00VrT6
Name 4-Benzyl-5-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol
Alternate Name(s) 3-(4-Chlorophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione 4-Benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12ClN3S
InChI InChI=1S/C15H12ClN3S/c16-13-8-6-12(7-9-13)14-17-18-15(20)19(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)
InChIKey ZGCSGEGQJRCSDB-UHFFFAOYSA-N
Molecular Weight 301.795 g/mol
SMILES Sc1[n](c(-c2ccc(Cl)cc2)nn1)Cc1ccccc1
SPLASH splash10-0006-9102000000-7288c10d9c8cadc95486
Wiley ID 1457072