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5-Amino-7-(1,3-diphenyl-1H-pyrazol-4-yl)-2-imino-1,2-dihydrothiazolo[5,4-b]pyridine-6-carbonitrile
SpectraBase Compound ID DnlBh1M2S12
InChI InChI=1S/C22H15N7S/c23-11-15-17(19-21(27-20(15)24)30-22(25)26-19)16-12-29(14-9-5-2-6-10-14)28-18(16)13-7-3-1-4-8-13/h1-10,12H,(H2,24,27)(H2,25,26)
InChIKey QERDQTFYRGPNDC-UHFFFAOYSA-N
Mol Weight 409.47 g/mol
Molecular Formula C22H15N7S
Exact Mass 409.110965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQlq4a3gXAg
Name 5-Amino-7-(1,3-diphenyl-1H-pyrazol-4-yl)-2-imino-1,2-dihydrothiazolo[5,4-b]pyridine-6-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.110964685 u
Formula C22H15N7S
InChI InChI=1S/C22H15N7S/c23-11-15-17(19-21(27-20(15)24)30-22(25)26-19)16-12-29(14-9-5-2-6-10-14)28-18(16)13-7-3-1-4-8-13/h1-10,12H,(H2,24,27)(H2,25,26)
InChIKey QERDQTFYRGPNDC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4423
Molecular Weight 409.471 g/mol
SMILES N1C(SC=2C1=C(C(=C(N2)N)C#N)C=1C(=NN(C1)C1=CC=CC=C1)C1=CC=CC=C1)=N
SPLASH splash10-000i-2098000000-237c250378daced73c96
Source of Spectrum Y-59-840-2 (DOI: 10.1002/jhet.4423)
Wiley ID 1892457