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1-[4-[4-(4-chloranylphenoxy)phenyl]-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID 7ZvjMgXTQEb
InChI InChI=1S/C26H20ClN3O2S/c1-18(31)25-28-30(21-6-3-2-4-7-21)26(24-8-5-17-33-24)29(25)20-11-15-23(16-12-20)32-22-13-9-19(27)10-14-22/h2-17,26H,1H3
InChIKey KGZJJAOMNWJGEI-UHFFFAOYSA-N
Mol Weight 473.98 g/mol
Molecular Formula C26H20ClN3O2S
Exact Mass 473.096476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuBR2AlPK5q
Name 1-[4-[4-(4-chloranylphenoxy)phenyl]-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20ClN3O2S
InChI InChI=1S/C26H20ClN3O2S/c1-18(31)25-28-30(21-6-3-2-4-7-21)26(24-8-5-17-33-24)29(25)20-11-15-23(16-12-20)32-22-13-9-19(27)10-14-22/h2-17,26H,1H3
InChIKey KGZJJAOMNWJGEI-UHFFFAOYSA-N
Molecular Weight 473.978 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(Oc3ccc(cc3)Cl)cc2)c2sccc2)cc1
SPLASH splash10-000i-4904300000-b2c2bb607be5107e1972
Synonyms 1-[4-[4-(4-chlorophenoxy)phenyl]-2-phenyl-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[4-[4-(4-chlorophenoxy)phenyl]-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone
Wiley ID 1437476