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N-(4-butoxyphenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-(4-butoxyphenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SpectraBase Compound ID Dm1w5GdotG2
InChI InChI=1S/C26H25FN4O2S/c1-2-3-16-33-23-14-12-21(13-15-23)28-24(32)18-34-26-30-29-25(19-8-7-9-20(27)17-19)31(26)22-10-5-4-6-11-22/h4-15,17H,2-3,16,18H2,1H3,(H,28,32)
InChIKey GDHDESULDAHWHR-UHFFFAOYSA-N
Mol Weight 476.57 g/mol
Molecular Formula C26H25FN4O2S
Exact Mass 476.168225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APSU52TFA3z
Name N-(4-Butoxyphenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.168225396 u
Formula C26H25FN4O2S
InChI InChI=1S/C26H25FN4O2S/c1-2-3-16-33-23-14-12-21(13-15-23)28-24(32)18-34-26-30-29-25(19-8-7-9-20(27)17-19)31(26)22-10-5-4-6-11-22/h4-15,17H,2-3,16,18H2,1H3,(H,28,32)
InChIKey GDHDESULDAHWHR-UHFFFAOYSA-N
Molecular Weight 476.570 g/mol
SMILES C1=CC=C(N2C(=NN=C2SCC(NC2=CC=C(C=C2)OCCCC)=O)C2=CC(F)=CC=C2)C=C1