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

SpectraBase Compound ID	7Uo3uzYSuBH
InChI	InChI=1S/C21H16ClN3O2S/c22-16-8-10-17(11-9-16)25-19(23-24-21(25)28-13-20(26)27)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,26,27)
InChIKey	UFCGPVUFFQXXTR-UHFFFAOYSA-N Google Search
Mol Weight	409.89 g/mol
Molecular Formula	C21H16ClN3O2S
Exact Mass	409.065176 g/mol

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SpectraBase Spectrum ID	7IlXeoJvOJa
Name	2-[[4-(4-chlorophenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid
CAS Registry Number	68836-70-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H16ClN3O2S
InChI	InChI=1S/C21H16ClN3O2S/c22-16-8-10-17(11-9-16)25-19(23-24-21(25)28-13-20(26)27)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,26,27)
InChIKey	UFCGPVUFFQXXTR-UHFFFAOYSA-N
Molecular Weight	409.891 g/mol
SMILES	OC(CSc1[n](c(nn1)Cc1c2c(cccc2)ccc1)-c1ccc(cc1)Cl)=O
SPLASH	splash10-014l-2911000000-4b448bba3aa6744d8e69
Source of Spectrum	Y-15-1103-4
Synonyms	2-[[4-(4-chlorophenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(4-chlorophenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-[[4-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
Wiley ID	1373300