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CHEBI:83920 - 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Default Structure
ChEBI IDCHEBI:83920
ChEBI Name4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
Stars
DefinitionA member of the class of triazoles that is 1-chloro-4-(3-phenylpropyl)benzene substituted at position 3 of the propyl moiety by cyano and 1,2,4-triazol-1-ylmethyl groups.
Last Modified27 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H17ClN4
Net Charge0
Average Mass336.826
Monoisotopic Mass336.11417
SMILESN#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1
InChIInChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
InChIKeyRQDJADAKIFFEKQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (CHEBI:83920) is a monochlorobenzenes (CHEBI:83403)
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (CHEBI:83920) is a nitrile (CHEBI:18379)
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (CHEBI:83920) is a triazoles (CHEBI:35727)
Incoming Relation(s)
(R)-fenbuconazole (CHEBI:83922) is a 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (CHEBI:83920)
(S)-fenbuconazole (CHEBI:83921) is a 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (CHEBI:83920)
IUPAC Name 
4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile
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