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6-Phenyl-3-(4-cyano-1,5-diphenyl-1H-pyrazole-3-yl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole
SpectraBase Compound ID DbYiIsNlxUa
InChI InChI=1S/C25H15N7S/c26-16-20-21(23-27-28-25-32(23)30-24(33-25)18-12-6-2-7-13-18)29-31(19-14-8-3-9-15-19)22(20)17-10-4-1-5-11-17/h1-15H
InChIKey KFTJBERDBARGEY-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C25H15N7S
Exact Mass 445.110965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1oX9N3iIXv
Name 6-Phenyl-3-(4-cyano-1,5-diphenyl-1H-pyrazole-3-yl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15N7S
InChI InChI=1S/C25H15N7S/c26-16-20-21(23-27-28-25-32(23)30-24(33-25)18-12-6-2-7-13-18)29-31(19-14-8-3-9-15-19)22(20)17-10-4-1-5-11-17/h1-15H
InChIKey KFTJBERDBARGEY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900176
Molecular Weight 445.504 g/mol
SMILES c1(nnc2[n]1N=C(S2)c1ccccc1)-c1n[n](c(c1C#N)-c1ccccc1)-c1ccccc1
SPLASH splash10-00b9-9116100000-40d23fed42b796a3705a
Source of Spectrum APC-343-394-19a
Synonyms 1,5-Diphenyl-3-(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-1H-pyrazole-4-carbonitrile 1,5-Diphenyl-3-(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-4-pyrazolecarbonitrile
Wiley ID 1769071