acetic acid, [[5-(3-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-

SpectraBase Compound ID	FOFKcuJ5doZ
InChI	InChI=1S/C12H12BrN3O2S/c1-2-16-11(8-4-3-5-9(13)6-8)14-15-12(16)19-7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)
InChIKey	IWVOGZUAEDYZJP-UHFFFAOYSA-N Google Search
Mol Weight	342.21 g/mol
Molecular Formula	C12H12BrN3O2S
Exact Mass	340.983361 g/mol

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SpectraBase Spectrum ID	7vCzmigPRkQ
Name	[5-(3-bromo-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H12BrN3O2S
InChI	InChI=1S/C12H12BrN3O2S/c1-2-16-11(8-4-3-5-9(13)6-8)14-15-12(16)19-7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)
InChIKey	IWVOGZUAEDYZJP-UHFFFAOYSA-N
Molecular Weight	342.211 g/mol
SMILES	OC(CSc1[n](c(nn1)-c1cc(Br)ccc1)CC)=O
SPLASH	splash10-0019-9450000000-cd3495f0f968f8cf6db9
Synonyms	2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
Wiley ID	1451892