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Concept information

Preferred term

3 (1، بنزوتیازول 2 یل) 4 (5 کلرو متیل فنیل پیرازولیل) بوتنوئیک اسید  

Type

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

Broader concept

charge

  • 0

formula

  • C21H16ClN3O2S

inchi

  • InChI=1S/C21H16ClN3O2S/c1-13-16(20(22)25(24-13)15-7-3-2-4-8-15)11-14(12-19(26)27)21-23-17-9-5-6-10-18(17)28-21/h2-11H,12H2,1H3,(H,26,27)

inchikey

  • ZVDIXTJKCNITLU-UHFFFAOYSA-N

mass

  • 409.890

monoisotopicmass

  • 409.06518

smiles

  • CC1=NN(C(=C1C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112306

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