3-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid

SpectraBase Compound ID	FUL1hxn3t4v
InChI	InChI=1S/C13H9N5O2S/c19-12(20)8-2-1-3-9(6-8)18-11(16-17-13(18)21)10-7-14-4-5-15-10/h1-7H,(H,17,21)(H,19,20)
InChIKey	CKGYBILOKMZKOF-UHFFFAOYSA-N Google Search
Mol Weight	299.31 g/mol
Molecular Formula	C13H9N5O2S
Exact Mass	299.047696 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	GugYaHZ4aDd
Name	3-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H9N5O2S
InChI	InChI=1S/C13H9N5O2S/c19-12(20)8-2-1-3-9(6-8)18-11(16-17-13(18)21)10-7-14-4-5-15-10/h1-7H,(H,17,21)(H,19,20)
InChIKey	CKGYBILOKMZKOF-UHFFFAOYSA-N
Molecular Weight	299.308 g/mol
SMILES	OC(c1cccc(-[n]2c(nnc2-c2nccnc2)S)c1)=O
SPLASH	splash10-0002-8791000000-f8c04908cdd76f6ccba9
Source of Spectrum	IY-2-4723-6
Synonyms	3-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid 3-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
Wiley ID	1655219