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N-(4-fluorophenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID DKAeVjeHEFU
InChI InChI=1S/C19H15FN8O3S/c20-13-6-8-14(9-7-13)22-17(29)11-32-19-24-23-16(27(19)15-4-2-1-3-5-15)10-26-12-21-18(25-26)28(30)31/h1-9,12H,10-11H2,(H,22,29)
InChIKey ZUODADKUYIVZRH-UHFFFAOYSA-N
Mol Weight 454.44 g/mol
Molecular Formula C19H15FN8O3S
Exact Mass 454.097186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B48g2FeBGjI
Name N-(4-fluorophenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15FN8O3S
InChI InChI=1S/C19H15FN8O3S/c20-13-6-8-14(9-7-13)22-17(29)11-32-19-24-23-16(27(19)15-4-2-1-3-5-15)10-26-12-21-18(25-26)28(30)31/h1-9,12H,10-11H2,(H,22,29)
InChIKey ZUODADKUYIVZRH-UHFFFAOYSA-N
Molecular Weight 454.440 g/mol
SMILES N(C(CSc1[n](-c2ccccc2)c(C[n]2nc(N(=O)=O)nc2)nn1)=O)c1ccc(F)cc1
SPLASH splash10-0006-9401000000-a1a14acb90478fa1fc80
Synonyms N-(4-fluorophenyl)-2-[[5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide N-(4-fluorophenyl)-2-[[5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
Wiley ID 1445181