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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>4</sub>H<sub>7</sub>NO<sub>2</sub>S<sub>2</sub>

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Extracted from

Scheme 75

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₄H₇NO₂S₂
Molecular Weight	165.24 g/mol
Exact Mass	164.9918 Da
InChI	InChI=1S/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3
InChIKey	NXGHEDHQXXXTTP-UHFFFAOYSA-N
SMILES	CSC(=C([H])[N+](=O)[O-])SC
Number of Atoms	16
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	5
XLogP	1.7

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