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Concept information

Preferred term

2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H16N2O3S

inchi

  • InChI=1S/C21H16N2O3S/c1-26-19-10-6-5-9-15(19)16-11-18(14-7-3-2-4-8-14)23-21(17(16)12-22)27-13-20(24)25/h2-11H,13H2,1H3,(H,24,25)

inchikey

  • HXHZNFAFHFRUIE-UHFFFAOYSA-N

mass

  • 376.430

monoisotopicmass

  • 376.08816

smiles

  • COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121201

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