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

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N-(4-sec-butylphenyl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 81yEUmn1Qc8
InChI InChI=1S/C26H25ClN4OS/c1-3-18(2)19-13-15-20(16-14-19)28-24(32)17-33-26-30-29-25(22-11-7-8-12-23(22)27)31(26)21-9-5-4-6-10-21/h4-16,18H,3,17H2,1-2H3,(H,28,32)
InChIKey OOGUDHJZFYYVFT-UHFFFAOYSA-N
Mol Weight 477.03 g/mol
Molecular Formula C26H25ClN4OS
Exact Mass 476.14376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VHNHweQz2d
Name N-(4-sec-Butylphenyl)-2-{[5-(2-chlorophenyl)-4-phenyl-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 476.143760314 u
Formula C26H25ClN4OS
InChI InChI=1S/C26H25ClN4OS/c1-3-18(2)19-13-15-20(16-14-19)28-24(32)17-33-26-30-29-25(22-11-7-8-12-23(22)27)31(26)21-9-5-4-6-10-21/h4-16,18H,3,17H2,1-2H3,(H,28,32)
InChIKey OOGUDHJZFYYVFT-UHFFFAOYSA-N
Molecular Weight 477.026 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C=1C=CC=CC1)=O)C=1C=CC(=CC1)C(CC)C