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5-(2-Chloro-benzylsulfanylmethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID J8TsTBjax4t
InChI InChI=1S/C16H14ClN3S2/c17-14-9-5-4-6-12(14)10-22-11-15-18-19-16(21)20(15)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,19,21)
InChIKey HVANVFGWLJJBBD-UHFFFAOYSA-N
Mol Weight 347.88 g/mol
Molecular Formula C16H14ClN3S2
Exact Mass 347.031768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55HdFb6xtC4
Name 5-(2-Chloro-benzylsulfanylmethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN3S2
InChI InChI=1S/C16H14ClN3S2/c17-14-9-5-4-6-12(14)10-22-11-15-18-19-16(21)20(15)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,19,21)
InChIKey HVANVFGWLJJBBD-UHFFFAOYSA-N
Molecular Weight 347.882 g/mol
SMILES Sc1[n](c(nn1)CSCc1c(Cl)cccc1)-c1ccccc1
SPLASH splash10-002f-5900000000-720c3c0ffa0418f7c802
Synonyms 3-[(2-chlorophenyl)methylsulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione 3-[[(2-chlorobenzyl)thio]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 3-[[(2-chlorophenyl)methylthio]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Wiley ID 1465701