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2-[[4-(1-naphthalenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid
SpectraBase Compound ID heBGITsRZw
InChI InChI=1S/C25H19N3O2S/c29-24(30)16-31-25-27-26-23(15-19-11-5-9-17-7-1-3-12-20(17)19)28(25)22-14-6-10-18-8-2-4-13-21(18)22/h1-14H,15-16H2,(H,29,30)
InChIKey WQSNFDPQWXIUGJ-UHFFFAOYSA-N
Mol Weight 425.51 g/mol
Molecular Formula C25H19N3O2S
Exact Mass 425.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbpDR4y9JFg
Name 2-[[4-(1-naphthalenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid
CAS Registry Number 77052-94-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19N3O2S
InChI InChI=1S/C25H19N3O2S/c29-24(30)16-31-25-27-26-23(15-19-11-5-9-17-7-1-3-12-20(17)19)28(25)22-14-6-10-18-8-2-4-13-21(18)22/h1-14H,15-16H2,(H,29,30)
InChIKey WQSNFDPQWXIUGJ-UHFFFAOYSA-N
Molecular Weight 425.506 g/mol
SMILES OC(CSc1[n](c(nn1)Cc1c2c(cccc2)ccc1)-c1c2c(cccc2)ccc1)=O
SPLASH splash10-00ou-0902300000-b1227492eed0a347ab04
Source of Spectrum Y-17-1371-5
Synonyms 2-[[4-(1-naphthyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(1-naphthyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-[[4-naphthalen-1-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-naphthalen-1-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
Wiley ID 1379667