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4-(2-Chlorobenzyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID 883apQvwji6
InChI InChI=1S/C16H14ClN3OS/c1-21-13-8-6-11(7-9-13)15-18-19-16(22)20(15)10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3,(H,19,22)
InChIKey HJPTYYKWJDJFKV-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 7MKHF2nUALt
Name 4-(2-Chlorobenzyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN3OS
InChI InChI=1S/C16H14ClN3OS/c1-21-13-8-6-11(7-9-13)15-18-19-16(22)20(15)10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3,(H,19,22)
InChIKey HJPTYYKWJDJFKV-UHFFFAOYSA-N
Molecular Weight 331.821 g/mol
SMILES N1N=C(N(C1=S)Cc1c(Cl)cccc1)c1ccc(cc1)OC
SPLASH splash10-0002-1390000000-6df3345600d520c44a62
Source of Spectrum KC-60-856-1
Synonyms 4-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Wiley ID 1583174