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2-(5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone

View entire compound with spectra: 1 MS (GC)

2-(5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
SpectraBase Compound ID 3jZcPOQu3NR
InChI InChI=1S/C28H23N9OS/c1-19-13-15-22(16-14-19)36-26(24-20(2)37(34-31-24)23-11-7-4-8-12-23)32-33-28(36)39-27(35-18-29-17-30-35)25(38)21-9-5-3-6-10-21/h3-18,27H,1-2H3
InChIKey UGXKGWCWVWIWRQ-UHFFFAOYSA-N
Mol Weight 533.61 g/mol
Molecular Formula C28H23N9OS
Exact Mass 533.174628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ckBesQt700
Name 2-(5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23N9OS
InChI InChI=1S/C28H23N9OS/c1-19-13-15-22(16-14-19)36-26(24-20(2)37(34-31-24)23-11-7-4-8-12-23)32-33-28(36)39-27(35-18-29-17-30-35)25(38)21-9-5-3-6-10-21/h3-18,27H,1-2H3
InChIKey UGXKGWCWVWIWRQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100022
Molecular Weight 533.614 g/mol
SMILES c1(nnc(SC([n]2cncn2)C(=O)c2ccccc2)[n]1-c1ccc(cc1)C)-c1c([n](nn1)-c1ccccc1)C
SPLASH splash10-0a4i-0917010000-30ff8ff2f853baaa5a73
Source of Spectrum QA-48-124-4b
Synonyms 2-((5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
Wiley ID 1795275