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

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2-(4-(4-chlorophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4H-1,2,4-triazol-3-ylthio)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
SpectraBase Compound ID C9mfcK5DGLX
InChI InChI=1S/C27H20ClN9OS/c1-18-23(31-34-37(18)22-10-6-3-7-11-22)25-32-33-27(36(25)21-14-12-20(28)13-15-21)39-26(35-17-29-16-30-35)24(38)19-8-4-2-5-9-19/h2-17,26H,1H3
InChIKey IRKBYBOUORZSFG-UHFFFAOYSA-N
Mol Weight 554.03 g/mol
Molecular Formula C27H20ClN9OS
Exact Mass 553.120005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgkEuLivvy5
Name 2-(4-(4-chlorophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-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 C27H20ClN9OS
InChI InChI=1S/C27H20ClN9OS/c1-18-23(31-34-37(18)22-10-6-3-7-11-22)25-32-33-27(36(25)21-14-12-20(28)13-15-21)39-26(35-17-29-16-30-35)24(38)19-8-4-2-5-9-19/h2-17,26H,1H3
InChIKey IRKBYBOUORZSFG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100022
Molecular Weight 554.032 g/mol
SMILES c1(nnc(SC([n]2cncn2)C(=O)c2ccccc2)[n]1-c1ccc(cc1)Cl)-c1c([n](nn1)-c1ccccc1)C
SPLASH splash10-056r-9700000000-2ac42629d1fba18d45fe
Source of Spectrum QA-48-124-4j
Synonyms 2-((4-(4-chlorophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
Wiley ID 1795277