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1-[{4-Cyano-5-(2-furyl)-1-phenylpyrazol-3-yl}carbonyl]-4-phenylthiosemicarbazide
SpectraBase Compound ID DDMef76WP8B
InChI InChI=1S/C22H16N6O2S/c23-14-17-19(21(29)25-26-22(31)24-15-8-3-1-4-9-15)27-28(16-10-5-2-6-11-16)20(17)18-12-7-13-30-18/h1-13H,(H,25,29)(H2,24,26,31)
InChIKey HACLWJICNIFGAR-UHFFFAOYSA-N
Mol Weight 428.47 g/mol
Molecular Formula C22H16N6O2S
Exact Mass 428.105545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3km82Wx4jHF
Name 1-[{4-Cyano-5-(2-furyl)-1-phenylpyrazol-3-yl}carbonyl]-4-phenylthiosemicarbazide
Alternate Name(s) 2-(4-cyano-5-(furan-2-yl)-1-phenyl-1H-pyrazole-3-carbonyl)-N-phenylhydrazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N6O2S
InChI InChI=1S/C22H16N6O2S/c23-14-17-19(21(29)25-26-22(31)24-15-8-3-1-4-9-15)27-28(16-10-5-2-6-11-16)20(17)18-12-7-13-30-18/h1-13H,(H,25,29)(H2,24,26,31)
InChIKey HACLWJICNIFGAR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600116
Molecular Weight 428.470 g/mol
SMILES N(NC(=S)Nc1ccccc1)C(=O)c1n[n](c(c1C#N)-c1occc1)-c1ccccc1
SPLASH splash10-004i-0110900000-6b3056b6620b864d33a0
Source of Spectrum QA-53-878-12
Wiley ID 1796205