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3-[5-(2-Chloro-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-pentane-2,4-dione

View entire compound with spectra: 1 MS (GC)

3-[5-(2-Chloro-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-pentane-2,4-dione
SpectraBase Compound ID 3cvT5lu2s9V
InChI InChI=1S/C19H16ClN3O2S/c1-12(24)17(13(2)25)26-19-22-21-18(15-10-6-7-11-16(15)20)23(19)14-8-4-3-5-9-14/h3-11,17H,1-2H3
InChIKey PZNVVZXGIZPIKS-UHFFFAOYSA-N
Mol Weight 385.87 g/mol
Molecular Formula C19H16ClN3O2S
Exact Mass 385.065176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eE4I53r7N3
Name 3-[5-(2-Chloro-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClN3O2S
InChI InChI=1S/C19H16ClN3O2S/c1-12(24)17(13(2)25)26-19-22-21-18(15-10-6-7-11-16(15)20)23(19)14-8-4-3-5-9-14/h3-11,17H,1-2H3
InChIKey PZNVVZXGIZPIKS-UHFFFAOYSA-N
Molecular Weight 385.869 g/mol
SMILES c1ccc(-[n]2c(nnc2SC(C(=O)C)C(=O)C)-c2c(Cl)cccc2)cc1
SPLASH splash10-0006-9525000000-1089aaf36c737aeecd05
Synonyms 3-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione 3-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentane-2,4-dione
Wiley ID 1465805