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3-[(2-Fluorobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-ylamine
SpectraBase Compound ID 7xcw3H0eOff
InChI InChI=1S/C15H13FN4S/c16-13-9-5-4-8-12(13)10-21-15-19-18-14(20(15)17)11-6-2-1-3-7-11/h1-9H,10,17H2
InChIKey PMJVGZGISMTTBB-UHFFFAOYSA-N
Mol Weight 300.36 g/mol
Molecular Formula C15H13FN4S
Exact Mass 300.084496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ScvCznrV3G
Name 3-[(2-Fluorobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-ylamine
CAS Registry Number 309921-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13FN4S
InChI InChI=1S/C15H13FN4S/c16-13-9-5-4-8-12(13)10-21-15-19-18-14(20(15)17)11-6-2-1-3-7-11/h1-9H,10,17H2
InChIKey PMJVGZGISMTTBB-UHFFFAOYSA-N
Molecular Weight 300.355 g/mol
SMILES N[n]1c(nnc1SCc1c(F)cccc1)-c1ccccc1
SPLASH splash10-0pi0-3901000000-5f1d0ecd864de73863be
Source of Spectrum AD-0-2532-0
Synonyms 3-[(2-fluorobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine 3-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine 3-[(2-fluorophenyl)methylthio]-5-phenyl-1,2,4-triazol-4-amine 4H-1,2,4-Triiazol-4-amine, 3-(2-fluorobenzylthio)-5-phenyl- [3-[(2-fluorobenzyl)thio]-5-phenyl-1,2,4-triazol-4-yl]amine
Wiley ID 1432256