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N-cyclohexyl-2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID ETfsEOLKEBx
InChI InChI=1S/C24H28N4O2S/c1-17-8-6-7-11-21(17)28-23(18-12-14-20(30-2)15-13-18)26-27-24(28)31-16-22(29)25-19-9-4-3-5-10-19/h6-8,11-15,19H,3-5,9-10,16H2,1-2H3,(H,25,29)
InChIKey KYDWKUBCMTYISK-UHFFFAOYSA-N
Mol Weight 436.57 g/mol
Molecular Formula C24H28N4O2S
Exact Mass 436.193297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ebes4WJpkd4
Name N-Cyclohexyl-2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-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 436.193297330 u
Formula C24H28N4O2S
InChI InChI=1S/C24H28N4O2S/c1-17-8-6-7-11-21(17)28-23(18-12-14-20(30-2)15-13-18)26-27-24(28)31-16-22(29)25-19-9-4-3-5-10-19/h6-8,11-15,19H,3-5,9-10,16H2,1-2H3,(H,25,29)
InChIKey KYDWKUBCMTYISK-UHFFFAOYSA-N
Molecular Weight 436.574 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C1=C(C)C=CC=C1)=O)C1CCCCC1