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2-[[4-(2-naphthalenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid
SpectraBase Compound ID 49KLwfbQaGk
InChI InChI=1S/C25H19N3O2S/c29-24(30)16-31-25-27-26-23(15-20-10-5-9-18-7-3-4-11-22(18)20)28(25)21-13-12-17-6-1-2-8-19(17)14-21/h1-14H,15-16H2,(H,29,30)
InChIKey RFZYRKTZXZDQAN-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 55K70Rb23rv
Name 2-[[4-(2-naphthalenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid
CAS Registry Number 77052-95-0
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(15-20-10-5-9-18-7-3-4-11-22(18)20)28(25)21-13-12-17-6-1-2-8-19(17)14-21/h1-14H,15-16H2,(H,29,30)
InChIKey RFZYRKTZXZDQAN-UHFFFAOYSA-N
Molecular Weight 425.506 g/mol
SMILES OC(CSc1[n](c(nn1)Cc1c2c(cccc2)ccc1)-c1cc2ccccc2cc1)=O
SPLASH splash10-00ou-0903300000-a2c3257dc4e5fd041d72
Source of Spectrum Y-17-1371-5
Synonyms 2-[[4-(2-naphthyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-(2-naphthyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-[[4-naphthalen-2-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid 2-[[4-naphthalen-2-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
Wiley ID 1379668