2-[[4-(2-methoxyphenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid

SpectraBase Compound ID	3Lt0ggOrzk8
InChI	InChI=1S/C22H19N3O3S/c1-28-19-12-5-4-11-18(19)25-20(23-24-22(25)29-14-21(26)27)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,26,27)
InChIKey	TUXOKLCAKSFZNZ-UHFFFAOYSA-N Google Search
Mol Weight	405.47 g/mol
Molecular Formula	C22H19N3O3S
Exact Mass	405.114713 g/mol

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SpectraBase Spectrum ID	F8ZrcW9u9Hk
Name	2-[[4-(2-methoxyphenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid
CAS Registry Number	68614-64-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H19N3O3S
InChI	InChI=1S/C22H19N3O3S/c1-28-19-12-5-4-11-18(19)25-20(23-24-22(25)29-14-21(26)27)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,26,27)
InChIKey	TUXOKLCAKSFZNZ-UHFFFAOYSA-N
Molecular Weight	405.472 g/mol
SMILES	OC(CSc1nnc([n]1-c1c(OC)cccc1)Cc1c2c(ccc1)cccc2)=O
SPLASH	splash10-014l-2903200000-91548d8203e5692944e9
Source of Spectrum	Y-15-1103-4
Synonyms	2-[[4-(2-methoxyphenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(2-methoxyphenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
Wiley ID	1371739