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1,3-Thia-zole-4-carbo-nitrile.

Martin J G FaitAnke SpannenbergEvgenii V KondratenkoDavid Linke
Published in: IUCrData (2021)
The title compound, C 4 H 2 N 2 S, is a 1,3-thia-zole substituted in the 4-position by a nitrile group. In the crystal, C-H⋯N hydrogen bonds and aromatic π-π stacking inter-actions are observed.
Keyphrases
  • molecular docking
  • amino acid
  • molecular dynamics simulations