2-[[4-(4-chloranyl-2-methyl-phenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

SpectraBase Compound ID	FAqntGM894T
InChI	InChI=1S/C22H18ClN3O2S/c1-14-11-17(23)9-10-19(14)26-20(24-25-22(26)29-13-21(27)28)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3,(H,27,28)
InChIKey	RGDBDQLATKQPCL-UHFFFAOYSA-N Google Search
Mol Weight	423.92 g/mol
Molecular Formula	C22H18ClN3O2S
Exact Mass	423.080826 g/mol

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SpectraBase Spectrum ID	KmfDnTtzKcq
Name	2-[[4-(4-chloranyl-2-methyl-phenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
CAS Registry Number	77052-93-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H18ClN3O2S
InChI	InChI=1S/C22H18ClN3O2S/c1-14-11-17(23)9-10-19(14)26-20(24-25-22(26)29-13-21(27)28)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3,(H,27,28)
InChIKey	RGDBDQLATKQPCL-UHFFFAOYSA-N
Molecular Weight	423.918 g/mol
SMILES	OC(CSc1[n](c(nn1)Cc1c2c(cccc2)ccc1)-c1c(cc(cc1)Cl)C)=O
SPLASH	splash10-00tf-1901400000-e2e7b92fea6488e38df3
Source of Spectrum	Y-17-1371-5
Synonyms	2-[[4-(4-chloro-2-methyl-phenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(4-chloro-2-methyl-phenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-[[4-(4-chloro-2-methylphenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-[[4-(4-chloro-2-methylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Wiley ID	1378941