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

SpectraBase Compound ID	7Ap0t1HSncS
InChI	InChI=1S/C9H9N5O2S/c1-5(8(15)16)14-7(12-13-9(14)17)6-4-10-2-3-11-6/h2-5H,1H3,(H,13,17)(H,15,16)
InChIKey	QEQQVRTUUIMZOA-UHFFFAOYSA-N Google Search
Mol Weight	251.26 g/mol
Molecular Formula	C9H9N5O2S
Exact Mass	251.047696 g/mol

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SpectraBase Spectrum ID	HBL8c1NEw59
Name	2-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C9H9N5O2S
InChI	InChI=1S/C9H9N5O2S/c1-5(8(15)16)14-7(12-13-9(14)17)6-4-10-2-3-11-6/h2-5H,1H3,(H,13,17)(H,15,16)
InChIKey	QEQQVRTUUIMZOA-UHFFFAOYSA-N
Molecular Weight	251.264 g/mol
SMILES	Sc1nnc([n]1C(C(O)=O)C)-c1nccnc1
SPLASH	splash10-0zi3-9510000000-1203b365d7e55c11c130
Source of Spectrum	IY-2-4734-5
Synonyms	4H-1,2,4-Triazole-4-acetic acid, 3-mercapto-.alpha.-methyl-5-(2-pyrazinyl)- 2-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid 2-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)propanoic acid 2-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid
Wiley ID	1655328