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4-(2-bromobenzyl)-3-(o-tolyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID Ci8R7fPuSw
InChI InChI=1S/C16H14BrN3S/c1-11-6-2-4-8-13(11)15-18-19-16(21)20(15)10-12-7-3-5-9-14(12)17/h2-9H,10H2,1H3,(H,19,21)
InChIKey ZPXLUMHKCAAFES-UHFFFAOYSA-N
Mol Weight 360.27 g/mol
Molecular Formula C16H14BrN3S
Exact Mass 359.009182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aQAYFN2HGu
Name 4-(2-bromobenzyl)-3-(o-tolyl)-1H-1,2,4-triazole-5-thione
Alternate Name(s) 4-[(2-bromophenyl)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione 4-[(2-bromophenyl)methyl]-3-(o-tolyl)-1H-1,2,4-triazole-5-thione
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Formula C16H14BrN3S
InChI InChI=1S/C16H14BrN3S/c1-11-6-2-4-8-13(11)15-18-19-16(21)20(15)10-12-7-3-5-9-14(12)17/h2-9H,10H2,1H3,(H,19,21)
InChIKey ZPXLUMHKCAAFES-UHFFFAOYSA-N
Molecular Weight 360.273 g/mol
SMILES N1N=C(N(C1=S)Cc1c(Br)cccc1)c1c(C)cccc1
SPLASH splash10-001i-1298000000-559ef3cb2c6501e7a479
Source of Spectrum KC-60-856-1
Wiley ID 1583173