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Chemistry, part 1

Content language

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Concept information

organofluorine compound > 4-[(1s,2s)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > triazoles > 4-[(1s,2s)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 4-[(1s,2s)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
... > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-[(1s,2s)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
... > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-[(1s,2s)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile

Preferred term

4-[(1s,2s)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C18H15FN4O

has_functional_parent

inchi

  • InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18-/m0/s1

inchikey

  • SLJZVZKQYSKYNV-ROUUACIJSA-N

mass

  • 322.33630

monoisotopicmass

  • 322.12299

smiles

  • O[C@@H](Cc1ccc(F)cc1)[C@H](c1ccc(cc1)C#N)n1cncn1

subset

  • 3_STAR

synonym EXACT

  • 4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]benzonitrile

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63872

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