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

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N-(3-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JDK8WRrzSeL
InChI InChI=1S/C23H19ClN4O2S/c1-30-20-12-10-16(11-13-20)22-26-27-23(28(22)19-8-3-2-4-9-19)31-15-21(29)25-18-7-5-6-17(24)14-18/h2-14H,15H2,1H3,(H,25,29)
InChIKey BGJGGHHJDSZOGV-UHFFFAOYSA-N
Mol Weight 450.94 g/mol
Molecular Formula C23H19ClN4O2S
Exact Mass 450.091725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TIcdtbrIpZ
Name N-(3-Chlorophenyl)-2-{[5-(4-methoxyphenyl)-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 450.091724740 u
Formula C23H19ClN4O2S
InChI InChI=1S/C23H19ClN4O2S/c1-30-20-12-10-16(11-13-20)22-26-27-23(28(22)19-8-3-2-4-9-19)31-15-21(29)25-18-7-5-6-17(24)14-18/h2-14H,15H2,1H3,(H,25,29)
InChIKey BGJGGHHJDSZOGV-UHFFFAOYSA-N
Molecular Weight 450.944 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)C1=CC=CC=C1)=O)C=1C=C(Cl)C=CC1