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4-(2-Chlorobenzyl)-3-(p-tolyl)-1H-1,2,4-triazole-5-thione

View entire compound with spectra: 1 MS (GC)

4-(2-Chlorobenzyl)-3-(p-tolyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID DuI6WMWC3B0
InChI InChI=1S/C16H14ClN3S/c1-11-6-8-12(9-7-11)15-18-19-16(21)20(15)10-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,19,21)
InChIKey XIUPFPCZZVYBTE-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 9WjdGtPDciT
Name 4-(2-Chlorobenzyl)-3-(p-tolyl)-1H-1,2,4-triazole-5-thione
Alternate Name(s) 4-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione 4-[(2-chlorophenyl)methyl]-3-(p-tolyl)-1H-1,2,4-triazole-5-thione
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Formula C16H14ClN3S
InChI InChI=1S/C16H14ClN3S/c1-11-6-8-12(9-7-11)15-18-19-16(21)20(15)10-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,19,21)
InChIKey XIUPFPCZZVYBTE-UHFFFAOYSA-N
Molecular Weight 315.822 g/mol
SMILES N1N=C(N(C1=S)Cc1c(Cl)cccc1)c1ccc(cc1)C
SPLASH splash10-001i-1390000000-9508324d4065cde20d38
Source of Spectrum KC-60-856-1
Wiley ID 1583175