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2-(4-(3-bromophenyl)-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

View entire compound with spectra: 1 MS (GC)

2-(4-(3-bromophenyl)-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 CTsuwFOM4JX
InChI InChI=1S/C27H20BrN9OS/c1-18-23(31-34-37(18)21-12-6-3-7-13-21)25-32-33-27(36(25)22-14-8-11-20(28)15-22)39-26(35-17-29-16-30-35)24(38)19-9-4-2-5-10-19/h2-17,26H,1H3
InChIKey OVFTYWAEIOHRLM-UHFFFAOYSA-N
Mol Weight 598.48 g/mol
Molecular Formula C27H20BrN9OS
Exact Mass 597.06949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72L2OK787AK
Name 2-(4-(3-bromophenyl)-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
Alternate Name(s) 2-((4-(3-bromophenyl)-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20BrN9OS
InChI InChI=1S/C27H20BrN9OS/c1-18-23(31-34-37(18)21-12-6-3-7-13-21)25-32-33-27(36(25)22-14-8-11-20(28)15-22)39-26(35-17-29-16-30-35)24(38)19-9-4-2-5-10-19/h2-17,26H,1H3
InChIKey OVFTYWAEIOHRLM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100022
Molecular Weight 598.483 g/mol
SMILES c1(nnc(SC([n]2cncn2)C(=O)c2ccccc2)[n]1-c1cccc(c1)Br)-c1c([n](nn1)-c1ccccc1)C
SPLASH splash10-056r-9700000000-818610fd7844738a659b
Source of Spectrum QA-48-124-4g
Wiley ID 1795276