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

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N-(2-chlorophenyl)-2-({5-[(2-naphthyloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID KXAoXp7jX47
InChI InChI=1S/C27H21ClN4O2S/c28-23-12-6-7-13-24(23)29-26(33)18-35-27-31-30-25(32(27)21-10-2-1-3-11-21)17-34-22-15-14-19-8-4-5-9-20(19)16-22/h1-16H,17-18H2,(H,29,33)
InChIKey GGRXVGTXCNBWCZ-UHFFFAOYSA-N
Mol Weight 501.0 g/mol
Molecular Formula C27H21ClN4O2S
Exact Mass 500.107375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HR2DeNQUZIN
Name N-(2-Chlorophenyl)-2-({5-[(2-naphthyloxy)methyl]-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 500.107374804 u
Formula C27H21ClN4O2S
InChI InChI=1S/C27H21ClN4O2S/c28-23-12-6-7-13-24(23)29-26(33)18-35-27-31-30-25(32(27)21-10-2-1-3-11-21)17-34-22-15-14-19-8-4-5-9-20(19)16-22/h1-16H,17-18H2,(H,29,33)
InChIKey GGRXVGTXCNBWCZ-UHFFFAOYSA-N
Molecular Weight 501.004 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=2C=CC=CC2C=C1)C1=CC=CC=C1)=O)C1=C(Cl)C=CC=C1