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5-(4-Chlorobenzyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID J2j1yKVh1i8
InChI InChI=1S/C16H14ClN3S/c1-11-4-2-3-5-14(11)20-15(18-19-16(20)21)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,19,21)
InChIKey SKKNQQQYZITNHY-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 KWeLeif8ToC
Name 5-(4-Chlorobenzyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 3-(4-Chlorobenzyl)-4-(o-tolyl)-1H-1,2,4-triazole-5-thione 3-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione 3-[(4-chlorophenyl)methyl]-4-(o-tolyl)-1H-1,2,4-triazole-5-thione [1,2,4]Triazole-3-thione, 5-(4-chlorobenzyl)-4-O-tolyl-2,4-dihydro-
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Formula C16H14ClN3S
InChI InChI=1S/C16H14ClN3S/c1-11-4-2-3-5-14(11)20-15(18-19-16(20)21)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,19,21)
InChIKey SKKNQQQYZITNHY-UHFFFAOYSA-N
Molecular Weight 315.822 g/mol
SMILES N1N=C(N(C1=S)c1c(C)cccc1)Cc1ccc(cc1)Cl
SPLASH splash10-00lr-9842000000-66b8b98ca85827553ff3
Wiley ID 1441809