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(4-Benzyl-5-(2-pyridyl)-1,2,4-triazole-3-ylthio)acetic acid
SpectraBase Compound ID sqsVR4429Z
InChI InChI=1S/C16H14N4O2S/c21-14(22)11-23-16-19-18-15(13-8-4-5-9-17-13)20(16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22)
InChIKey HJPBDQQVCVVVCB-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C16H14N4O2S
Exact Mass 326.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJfoCmgeFSC
Name (4-Benzyl-5-(2-pyridyl)-1,2,4-triazole-3-ylthio)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4O2S
InChI InChI=1S/C16H14N4O2S/c21-14(22)11-23-16-19-18-15(13-8-4-5-9-17-13)20(16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22)
InChIKey HJPBDQQVCVVVCB-UHFFFAOYSA-N
Molecular Weight 326.374 g/mol
SMILES OC(CSc1[n](c(nn1)-c1ncccc1)Cc1ccccc1)=O
SPLASH splash10-0006-9354000000-e0fe0ec3e232dd0e8f72
Source of Spectrum F7-24-273-7
Synonyms {[4-benzyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Wiley ID 1556946