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3-Benzyl-4-(2-chlorobenzyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID HFAUQvMODkp
InChI InChI=1S/C16H14ClN3S/c17-14-9-5-4-8-13(14)11-20-15(18-19-16(20)21)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21)
InChIKey VQELIGLYGOXODB-UHFFFAOYSA-N
Mol Weight 315.82 g/mol
Molecular Formula C16H14ClN3S
Exact Mass 315.059696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5z0HEsS4TlX
Name 3-Benzyl-4-(2-chlorobenzyl)-1H-1,2,4-triazole-5-thione
Alternate Name(s) 3-Benzyl-4-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione 4-[(2-chlorophenyl)methyl]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
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Formula C16H14ClN3S
InChI InChI=1S/C16H14ClN3S/c17-14-9-5-4-8-13(14)11-20-15(18-19-16(20)21)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21)
InChIKey VQELIGLYGOXODB-UHFFFAOYSA-N
Molecular Weight 315.822 g/mol
SMILES N1N=C(N(C1=S)Cc1c(Cl)cccc1)Cc1ccccc1
SPLASH splash10-003r-1792000000-16073878237142f6b23d
Source of Spectrum KC-60-856-1
Wiley ID 1583172