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4-Allyl-5-[4-(1-methyl-1-phenyl-ethyl)-phenoxymethyl]-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 9737WULGcnk
InChI InChI=1S/C21H23N3OS/c1-4-14-24-19(22-23-20(24)26)15-25-18-12-10-17(11-13-18)21(2,3)16-8-6-5-7-9-16/h4-13H,1,14-15H2,2-3H3,(H,23,26)
InChIKey AECLCPPRRANGDB-UHFFFAOYSA-N
Mol Weight 365.5 g/mol
Molecular Formula C21H23N3OS
Exact Mass 365.156184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZS3KTjy1P3
Name 4-Allyl-5-[4-(1-methyl-1-phenyl-ethyl)-phenoxymethyl]-4H-[1,2,4]triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3OS
InChI InChI=1S/C21H23N3OS/c1-4-14-24-19(22-23-20(24)26)15-25-18-12-10-17(11-13-18)21(2,3)16-8-6-5-7-9-16/h4-13H,1,14-15H2,2-3H3,(H,23,26)
InChIKey AECLCPPRRANGDB-UHFFFAOYSA-N
Molecular Weight 365.495 g/mol
SMILES Sc1[n](c(nn1)COc1ccc(C(c2ccccc2)(C)C)cc1)CC=C
SPLASH splash10-0002-2911000000-bf13aa499996c78e97ac
Synonyms 3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione 4-Allyl-3-[(4-cumylphenoxy)methyl]-1H-1,2,4-triazole-5-thione 4-Allyl-3-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione
Wiley ID 1462079