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s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-
SpectraBase Compound ID 9zddMz7A6hP
InChI InChI=1S/C21H17N3OS/c26-21-23-22-20(24(21)18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,26)
InChIKey YMTCAUNMUYRNKD-UHFFFAOYSA-N
Mol Weight 359.45 g/mol
Molecular Formula C21H17N3OS
Exact Mass 359.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDaeOZvFhaA
Name 5-[([1,1'-Biphenyl]-4-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
CAS Registry Number 68869-43-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3OS
InChI InChI=1S/C21H17N3OS/c26-21-23-22-20(24(21)18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,26)
InChIKey YMTCAUNMUYRNKD-UHFFFAOYSA-N
Molecular Weight 359.447 g/mol
SMILES Sc1[n](c(nn1)COc1ccc(cc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-00di-3900000000-94f221dd2dc4dbbe7565
Source of Spectrum AD-0-2532-0
Synonyms 3H-1,2,4-triazole-3-thione, 2,4-dihydro-5-(((1,1'-biphenyl)-4-yloxy)methyl)-4-phenyl- 3H-1,2,4-Triazole-3-thione, 5-[([1,1'-biphenyl]-4-yloxy)methyl]-2,4-dihydro-4-phenyl- 4-Phenyl-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione 4H-1,2,4-Triazole-3-thiol, 5-(4-biphenyloxy)-4-phenyl- 5-(4-Biphenoxymethyl)-1-phenyl-1H-1,2,4-triazole-2-thiol s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-
Wiley ID 1432360