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5-(3,4-Dichloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 78VcJbb14Lw
InChI InChI=1S/C15H11Cl2N3OS/c16-12-7-6-11(8-13(12)17)21-9-14-18-19-15(22)20(14)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)
InChIKey ZHSPTKKOHKPZDI-UHFFFAOYSA-N
Mol Weight 352.24 g/mol
Molecular Formula C15H11Cl2N3OS
Exact Mass 350.999989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ch5byWYORdi
Name 5-(3,4-Dichloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
CAS Registry Number 346597-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11Cl2N3OS
InChI InChI=1S/C15H11Cl2N3OS/c16-12-7-6-11(8-13(12)17)21-9-14-18-19-15(22)20(14)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)
InChIKey ZHSPTKKOHKPZDI-UHFFFAOYSA-N
Molecular Weight 352.239 g/mol
SMILES Sc1[n](c(nn1)COc1cc(Cl)c(cc1)Cl)-c1ccccc1
SPLASH splash10-0006-2901000000-d612047b16e7f4af0473
Synonyms 3-[(3,4-dichlorophenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 3-[[3,4-bis(chloranyl)phenoxy]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Wiley ID 1460831