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N-(4-sec-butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-(4-sec-butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID KfttXAng5wJ
InChI InChI=1S/C27H27ClN4O2S/c1-4-18(2)19-7-11-22(12-8-19)29-25(33)17-35-27-31-30-26(20-5-9-21(28)10-6-20)32(27)23-13-15-24(34-3)16-14-23/h5-16,18H,4,17H2,1-3H3,(H,29,33)
InChIKey KYKLTAOFXRBYER-UHFFFAOYSA-N
Mol Weight 507.05 g/mol
Molecular Formula C27H27ClN4O2S
Exact Mass 506.154325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eni4nt3lF8o
Name N-(4-sec-Butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-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 506.154324997 u
Formula C27H27ClN4O2S
InChI InChI=1S/C27H27ClN4O2S/c1-4-18(2)19-7-11-22(12-8-19)29-25(33)17-35-27-31-30-26(20-5-9-21(28)10-6-20)32(27)23-13-15-24(34-3)16-14-23/h5-16,18H,4,17H2,1-3H3,(H,29,33)
InChIKey KYKLTAOFXRBYER-UHFFFAOYSA-N
Molecular Weight 507.052 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C1=CC=C(C=C1)OC)=O)C=1C=CC(=CC1)C(CC)C