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5-(4-Methylphenoxymethyl)-4-(2-chlorophenyl)-1,2,4-triazol-3-thione
SpectraBase Compound ID C5lhmVgazsM
InChI InChI=1S/C16H14ClN3OS/c1-11-6-8-12(9-7-11)21-10-15-18-19-16(22)20(15)14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,19,22)
InChIKey WJNVXMYKFGOGKT-UHFFFAOYSA-N
Mol Weight 331.82 g/mol
Molecular Formula C16H14ClN3OS
Exact Mass 331.054611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDmiHfCXA
Name 5-(4-Methylphenoxymethyl)-4-(2-chlorophenyl)-1,2,4-triazol-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN3OS
InChI InChI=1S/C16H14ClN3OS/c1-11-6-8-12(9-7-11)21-10-15-18-19-16(22)20(15)14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,19,22)
InChIKey WJNVXMYKFGOGKT-UHFFFAOYSA-N
Molecular Weight 331.821 g/mol
SMILES N1N=C(N(C1=S)c1c(Cl)cccc1)COc1ccc(cc1)C
SPLASH splash10-052s-1931000000-71bd7d46760c36ee695a
Source of Spectrum F4-0-3846-4
Synonyms 4-(2-Chlorophenyl)-5-[(4-methylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Wiley ID 1621065