3-[1-(p-Chlorophenyl)-5-methyl-1,2,3-triazole-4-yl]-4H-1,2,4-triazole-5-thioacetic acid

SpectraBase Compound ID	Cmn8qPFlxps
InChI	InChI=1S/C13H11ClN6O2S/c1-7-11(12-15-13(18-17-12)23-6-10(21)22)16-19-20(7)9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,21,22)(H,15,17,18)
InChIKey	IYXAZOMKBZRABI-UHFFFAOYSA-N Google Search
Mol Weight	350.78 g/mol
Molecular Formula	C13H11ClN6O2S
Exact Mass	350.035272 g/mol

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SpectraBase Spectrum ID	5at3cbJ81qu
Name	3-[1-(p-Chlorophenyl)-5-methyl-1,2,3-triazole-4-yl]-4H-1,2,4-triazole-5-thioacetic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H11ClN6O2S
InChI	InChI=1S/C13H11ClN6O2S/c1-7-11(12-15-13(18-17-12)23-6-10(21)22)16-19-20(7)9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,21,22)(H,15,17,18)
InChIKey	IYXAZOMKBZRABI-UHFFFAOYSA-N
Molecular Weight	350.784 g/mol
SMILES	[nH]1c(SCC(O)=O)nnc1-c1c(C)[n](-c2ccc(Cl)cc2)nn1
SPLASH	splash10-06vl-4964000000-e07070b8d78808082dec
Source of Spectrum	Y1-40B-18-6
Synonyms	({5-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid 3-[1-p-(Chlorophenyl)-5-methyl-1, 2, 3-triazole-4-yl]-4H-1,2,4-triazole-5-thioacetic acid 2-((5-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
Wiley ID	1744033