skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > biaryl > bipyridines > 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > biaryl > bipyridines > 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > biaryl > bipyridines > 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > bipyridines > 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > bipyridines > 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > bipyridines > 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > bipyridines > 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester

Preferred term

4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C18H17N3O3S

inchi

  • InChI=1S/C18H17N3O3S/c1-3-24-17(23)8-14(22)11-25-18-15(9-19)12(2)7-16(21-18)13-5-4-6-20-10-13/h4-7,10H,3,8,11H2,1-2H3

inchikey

  • ZGGPHJFSKBYSSY-UHFFFAOYSA-N

mass

  • 355.413

monoisotopicmass

  • 355.09906

smiles

  • CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CN=CC=C2)C)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108013

Download this concept:

RDF/XML TURTLE JSON-LD