skip to main content

Chemistry, part 3

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organic sulfide > aryl sulfide > 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organosulfur compound > organic sulfide > aryl sulfide > 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organosulfur compound > organic sulfide > aryl sulfide > 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfide > organic sulfide > aryl sulfide > 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester

Preferred term

2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C13H11F3N2O2S

inchi

  • InChI=1S/C13H11F3N2O2S/c1-20-11(19)6-21-12-8(5-17)9(13(14,15)16)4-10(18-12)7-2-3-7/h4,7H,2-3,6H2,1H3

inchikey

  • OEVFMFILPWISDE-UHFFFAOYSA-N

mass

  • 316.300

monoisotopicmass

  • 316.04933

smiles

  • COC(=O)CSC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:120587

Download this concept:

RDF/XML TURTLE JSON-LD