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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzimidazoles > 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1h-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzimidazoles > 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1h-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 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 > benzimidazoles > 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1h-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzimidazoles > 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1h-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzimidazoles > 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1h-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 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 > organic heteropolycyclic compound > organic heterobicyclic compound > benzimidazoles > 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1h-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzimidazoles > 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1h-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester

Preferred term

2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1h-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C21H19N3O3S

inchi

  • InChI=1S/C21H19N3O3S/c1-13-7-8-14(2)19(9-13)28-12-20(26)27-11-18(25)15(10-22)21-23-16-5-3-4-6-17(16)24-21/h3-9,15H,11-12H2,1-2H3,(H,23,24)

inchikey

  • BGCNMYPMRYTVLQ-UHFFFAOYSA-N

mass

  • 393.461

monoisotopicmass

  • 393.11471

smiles

  • CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108963

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