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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-(2,5-dimethoxyphenyl)-2-[[5-(2-furanyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone

Preferred term

1-(2,5-dimethoxyphenyl)-2-[[5-(2-furanyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C19H21N3O4S

inchi

  • InChI=1S/C19H21N3O4S/c1-4-9-22-18(17-6-5-10-26-17)20-21-19(22)27-12-15(23)14-11-13(24-2)7-8-16(14)25-3/h5-8,10-11H,4,9,12H2,1-3H3

inchikey

  • LOCYCRDZJGPBQB-UHFFFAOYSA-N

mass

  • 387.455

monoisotopicmass

  • 387.12528

smiles

  • CCCN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)C3=CC=CO3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:120453

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