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CHEBI:83729 - 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile

Default Structure
ChEBI IDCHEBI:83729
ChEBI Name2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
Stars
ASCII Name2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
DefinitionA nitrile that is hexanenitrile substituted at the 2-position by p-chlorophenyl and (1,2,4-triazol-1-yl)methyl groups.
Last Modified13 November 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H17ClN4
Net Charge0
Average Mass288.782
Monoisotopic Mass288.11417
SMILESCCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
InChIKeyHZJKXKUJVSEEFU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile (CHEBI:83729) is a monochlorobenzenes (CHEBI:83403)
2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile (CHEBI:83729) is a nitrile (CHEBI:18379)
2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile (CHEBI:83729) is a triazoles (CHEBI:35727)
Incoming Relation(s)
(R)-myclobutanil (CHEBI:83730) is a 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile (CHEBI:83729)
(S)-myclobutanil (CHEBI:83731) is a 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile (CHEBI:83729)
IUPAC Name 
2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
Manual XrefsDatabases
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