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2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide

View entire compound with spectra: 2 NMR

2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
SpectraBase Compound ID 4jkwOBFadit
InChI InChI=1S/C15H12F3N5OS/c16-15(17,18)13-21-22-14(23(13)19)25-8-12(24)20-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8,19H2,(H,20,24)
InChIKey XJTZJAQXPJAPGF-UHFFFAOYSA-N
Mol Weight 367.35 g/mol
Molecular Formula C15H12F3N5OS
Exact Mass 367.071466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTPy79k24uh
Name 2-{[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.071465688 u
Formula C15H12F3N5OS
InChI InChI=1S/C15H12F3N5OS/c16-15(17,18)13-21-22-14(23(13)19)25-8-12(24)20-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8,19H2,(H,20,24)
InChIKey XJTZJAQXPJAPGF-UHFFFAOYSA-N
Molecular Weight 367.350 g/mol
SMILES N(C1=C2C(C=CC=C2)=CC=C1)C(CSC1=NN=C(N1N)C(F)(F)F)=O