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3-Anilino-N-(benzothiazol-2-yl)-5-((1,3-diphenyl-1hpyrazol-4-yl)methylene-amino)-1H-pyrazole-4-carboxamide

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3-Anilino-N-(benzothiazol-2-yl)-5-((1,3-diphenyl-1hpyrazol-4-yl)methylene-amino)-1H-pyrazole-4-carboxamide
SpectraBase Compound ID FNrxflsSjyc
InChI InChI=1S/C33H24N8OS/c42-32(37-33-36-26-18-10-11-19-27(26)43-33)28-30(38-39-31(28)35-24-14-6-2-7-15-24)34-20-23-21-41(25-16-8-3-9-17-25)40-29(23)22-12-4-1-5-13-22/h1-21H,(H2,35,38,39)(H,36,37,42)/b34-20+
InChIKey HZASJPPFUWLGNB-QXUDOOCXSA-N
Mol Weight 580.7 g/mol
Molecular Formula C33H24N8OS
Exact Mass 580.179379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfndXbFQmY8
Name 3-Anilino-N-(benzothiazol-2-yl)-5-((1,3-diphenyl-1hpyrazol-4-yl)methylene-amino)-1H-pyrazole-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 580.179378598 u
Formula C33H24N8OS
InChI InChI=1S/C33H24N8OS/c42-32(37-33-36-26-18-10-11-19-27(26)43-33)28-30(38-39-31(28)35-24-14-6-2-7-15-24)34-20-23-21-41(25-16-8-3-9-17-25)40-29(23)22-12-4-1-5-13-22/h1-21H,(H2,35,38,39)(H,36,37,42)/b34-20+
InChIKey HZASJPPFUWLGNB-QXUDOOCXSA-N
Molecular Weight 580.670 g/mol
SMILES C=1(C(=NNC1\N=C\C=1C(=NN(C1)C1=CC=CC=C1)C=1C=CC=CC1)NC=1C=CC=CC1)C(NC1=NC2=CC=CC=C2S1)=O