CHEBI:86428 - (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol

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ChEBI Name (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
ChEBI ID CHEBI:86428
ChEBI ASCII Name (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
Definition A member of the class of triazoles that is 1,2,4-triazole which is substituted at position 1 by a 1-(p-chlorophenyl)-3-hydroxy-4,4-dimethylpent-1-en-2-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H18ClN3O
Net Charge 0
Average Mass 291.77600
Monoisotopic Mass 291.11384
InChI InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
InChIKey YNWVFADWVLCOPU-MDWZMJQESA-N
SMILES CC(C)(C)C(O)C(=C/c1ccc(Cl)cc1)\n1cncn1
ChEBI Ontology
Outgoing (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol (CHEBI:86428) is a monochlorobenzenes (CHEBI:83403)
(1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol (CHEBI:86428) is a secondary alcohol (CHEBI:35681)
(1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol (CHEBI:86428) is a triazoles (CHEBI:35727)
Incoming (R)-uniconazole (CHEBI:86429) is a (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol (CHEBI:86428)
uniconazole P (CHEBI:81785) is a (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol (CHEBI:86428)
IUPAC Name
(1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
Manual Xref Database
675 PPDB
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Last Modified
10 July 2015
General Comment
2015-07-10 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-uniconazole and uniconazole-P] and for the racemate (uniconazole).