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Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller

Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

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Chemical structure C<sub>22</sub>H<sub>24</sub>N<sub>2</sub>S<sub>2</sub>

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Extracted from

Scheme 22

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₂H₂₄N₂S₂
Molecular Weight	380.57 g/mol
Exact Mass	380.1381 Da
InChI	InChI=1S/C22H24N2S2/c1-3-5-16-19-20(22(25)26-4-2)21(17-12-8-6-9-13-17)24(23-19)18-14-10-7-11-15-18/h6-15H,3-5,16H2,1-2H3
InChIKey	WXBUXGDMCVMOGM-UHFFFAOYSA-N
SMILES	CCCCC1=NN(C2=CC=CC=C2)C(=C1C(=S)SCC)C3=CC=CC=C3
Number of Atoms	50
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	19
XLogP	5.3

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