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

View entire compound with spectra: 2 NMR

2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 5ka36QLplL1
InChI InChI=1S/C26H23F3N4OS2/c1-17-9-11-22(12-10-17)35-15-23-31-32-25(33(23)21-8-3-5-18(2)13-21)36-16-24(34)30-20-7-4-6-19(14-20)26(27,28)29/h3-14H,15-16H2,1-2H3,(H,30,34)
InChIKey VRLWKTFCRLKQAZ-UHFFFAOYSA-N
Mol Weight 528.61 g/mol
Molecular Formula C26H23F3N4OS2
Exact Mass 528.126538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCvqMPRZI6U
Name 2-[(4-(3-Methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.126538213 u
Formula C26H23F3N4OS2
InChI InChI=1S/C26H23F3N4OS2/c1-17-9-11-22(12-10-17)35-15-23-31-32-25(33(23)21-8-3-5-18(2)13-21)36-16-24(34)30-20-7-4-6-19(14-20)26(27,28)29/h3-14H,15-16H2,1-2H3,(H,30,34)
InChIKey VRLWKTFCRLKQAZ-UHFFFAOYSA-N
Molecular Weight 528.612 g/mol
SMILES N(C(CSC=1N(C(=NN1)CSC1=CC=C(C=C1)C)C=1C=C(C)C=CC1)=O)C1=CC(C(F)(F)F)=CC=C1