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5-[1-(4-Isobutylphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 502M7RxckaD
InChI InChI=1S/C20H23N3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-21-22-20(24)23(19)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,22,24)
InChIKey VGICELBGKHQNDQ-UHFFFAOYSA-N
Mol Weight 337.49 g/mol
Molecular Formula C20H23N3S
Exact Mass 337.161269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5g4t1pyx4R6
Name 5-[1-(4-Isobutylphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
CAS Registry Number 127222-72-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3S
InChI InChI=1S/C20H23N3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-21-22-20(24)23(19)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,22,24)
InChIKey VGICELBGKHQNDQ-UHFFFAOYSA-N
Molecular Weight 337.485 g/mol
SMILES Sc1[n](c(nn1)C(c1ccc(cc1)CC(C)C)C)-c1ccccc1
SPLASH splash10-0006-9722000000-c6c3f7bd1ca60c4e21de
Source of Spectrum AD-0-2532-0
Synonyms 3-[1-(4-isobutylphenyl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione 3-[1-[4-(2-methylpropyl)phenyl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione 4H-1,2,4-Triazole-3-thiol, 5-[1-[4-(2-methylpropyl)phenyl]ethyl]-4-phenyl-
Wiley ID 1433499