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2-[[5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid
SpectraBase Compound ID 1q2zMW0hG30
InChI InChI=1S/C21H17N3O3S/c25-20(26)14-28-21-23-22-19(24(21)16-9-2-1-3-10-16)13-27-18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,25,26)
InChIKey XPSACBVCYFZSMG-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C21H17N3O3S
Exact Mass 391.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2oD9WWgFxA
Name 2-[[5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O3S
InChI InChI=1S/C21H17N3O3S/c25-20(26)14-28-21-23-22-19(24(21)16-9-2-1-3-10-16)13-27-18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,25,26)
InChIKey XPSACBVCYFZSMG-UHFFFAOYSA-N
Molecular Weight 391.445 g/mol
SMILES OC(CSc1[n](c(nn1)COc1c2c(cccc2)ccc1)-c1ccccc1)=O
SPLASH splash10-00ke-3940000000-1f5c29946905a3e174f2
Synonyms 2-[[5-(1-naphthoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid 2-[[5-(1-naphthyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
Wiley ID 1452610