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Concept information

Preferred term

4-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C13H10ClN3OS2

inchi

  • InChI=1S/C13H10ClN3OS2/c1-7(16)9(5-15)11(18)6-19-13-17-10-4-8(14)2-3-12(10)20-13/h2-4,9,16H,6H2,1H3

inchikey

  • ZJZCLYGPAWKYPK-UHFFFAOYSA-N

mass

  • 323.824

monoisotopicmass

  • 322.99538

smiles

  • CC(=N)C(C#N)C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111470

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