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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3,5-bis[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3,5-bis[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3,5-bis[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile

Preferred term

3,5-bis[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C20H12F2N2O2S3

inchi

  • InChI=1S/C20H12F2N2O2S3/c21-14-5-1-12(2-6-14)17(25)10-27-19-16(9-23)20(29-24-19)28-11-18(26)13-3-7-15(22)8-4-13/h1-8H,10-11H2

inchikey

  • IECBSRBZPZTUKJ-UHFFFAOYSA-N

mass

  • 446.517

monoisotopicmass

  • 446.00290

smiles

  • C1=CC(=CC=C1C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC=C(C=C3)F)C#N)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94286

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