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5-(3-Ethyl-5-methyl-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID AQvV8K8rpLz
InChI InChI=1S/C18H19N3OS/c1-3-14-9-13(2)10-16(11-14)22-12-17-19-20-18(23)21(17)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKey BKKWJVRBKCXDMO-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C18H19N3OS
Exact Mass 325.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1ICyiikJWa
Name 5-(3-Ethyl-5-methyl-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
CAS Registry Number 345988-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N3OS
InChI InChI=1S/C18H19N3OS/c1-3-14-9-13(2)10-16(11-14)22-12-17-19-20-18(23)21(17)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKey BKKWJVRBKCXDMO-UHFFFAOYSA-N
Molecular Weight 325.430 g/mol
SMILES Sc1[n](c(nn1)COc1cc(C)cc(c1)CC)-c1ccccc1
SPLASH splash10-002r-2901000000-51f33dccbe4b3e078f29
Synonyms 3-[(3-ethyl-5-methyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Wiley ID 1461084