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Hirshfeld analysis and molecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-ylidene)-N-methylhydrazinecarbothioamide

The acetic acid-catalyzed reaction between 5-chloroisatin and 4-methylthiosemicarbazide yields the title compound, C(10)H(9)ClN(4)OS (I) (common name: 5-chloroisatin-4-methylthiosemicarbazone). The molecule is nearly planar (r.m.s. deviation = 0.047 Å for all non-H atoms), with a maximum devi...

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Detalles Bibliográficos
Autores principales:	Velasques, Jecika Maciel, Gervini, Vanessa Carratu, Kickofel, Lisliane, de Farias, Renan Lira, de Oliveira, Adriano Bof
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2017
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418788/ https://www.ncbi.nlm.nih.gov/pubmed/28529780 http://dx.doi.org/10.1107/S2056989017005461

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