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

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ChEBI Name 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile ChEBI ID CHEBI:83729 ChEBI ASCII Name 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile Definition A nitrile that is hexanenitrile substituted at the 2-position by p-chlorophenyl and (1,2,4-triazol-1-yl)methyl groups. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H17ClN4 Net Charge 0 Average Mass 288.77500 Monoisotopic Mass 288.11417 InChI InChI=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 InChIKey HZJKXKUJVSEEFU-UHFFFAOYSA-N SMILES CCCCC(Cn1cncn1)(C#N)c1ccc(Cl)cc1 ChEBI Ontology Outgoing 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 (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 Xref Database 478 PPDB View more database links Last Modified 13 November 2014