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

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2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID JZc34yQmKXk
InChI InChI=1S/C26H25ClN4OS/c1-17(2)22-9-4-5-10-23(22)28-24(32)16-33-26-30-29-25(19-8-6-7-18(3)15-19)31(26)21-13-11-20(27)12-14-21/h4-15,17H,16H2,1-3H3,(H,28,32)
InChIKey PWBDLXSHXJSITQ-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 FLpiA27OoUO
Name 2-{[4-(4-Chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)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/c1-17(2)22-9-4-5-10-23(22)28-24(32)16-33-26-30-29-25(19-8-6-7-18(3)15-19)31(26)21-13-11-20(27)12-14-21/h4-15,17H,16H2,1-3H3,(H,28,32)
InChIKey PWBDLXSHXJSITQ-UHFFFAOYSA-N
Molecular Weight 477.026 g/mol
SMILES N(C1=C(C(C)C)C=CC=C1)C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C=1C=CC(=CC1)Cl)=O