skip to main content

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 > oxygen molecular entity > organooxygen compound > carbonyl compound > 2-[(3-oxo-3-phenylprop-1-enyl)thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > 2-[(3-oxo-3-phenylprop-1-enyl)thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 2-[(3-oxo-3-phenylprop-1-enyl)thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile

Preferred term

2-[(3-oxo-3-phenylprop-1-enyl)thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C20H11F3N2OS2

inchi

  • InChI=1S/C20H11F3N2OS2/c21-20(22,23)15-11-16(18-7-4-9-27-18)25-19(14(15)12-24)28-10-8-17(26)13-5-2-1-3-6-13/h1-11H

inchikey

  • JJHNYZCQOJJCBH-UHFFFAOYSA-N

mass

  • 416.442

monoisotopicmass

  • 416.02649

smiles

  • C1=CC=C(C=C1)C(=O)C=CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94132

Download this concept: