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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuRjbFktVwd
Name 2-{[5-(4-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-N-(4-methoxyphenyl)acetamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19ClN4O2S
InChI InChI=1S/C23H19ClN4O2S/c1-30-20-13-11-18(12-14-20)25-21(29)15-31-23-27-26-22(16-7-9-17(24)10-8-16)28(23)19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,25,29)
InChIKey WYLSHQLGPJIXOV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000170
Molecular Weight 450.944 g/mol
SMILES N(C(CSc1nnc([n]1-c1ccccc1)-c1ccc(cc1)Cl)=O)c1ccc(cc1)OC
SPLASH splash10-000f-8975100000-c860594f80be4a6c826c
Source of Spectrum APC-353-SM23-20
Wiley ID 1855804