CHEBI:83758 - 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole

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ChEBI Name 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
ChEBI ID CHEBI:83758
ChEBI ASCII Name 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
Definition An epoxide that is oxirane substituted by a 2-chlorophenyl, 4-fluorophenyl and a 1H-1,2,4-triazol-1-ylmethyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H13ClFN3O
Net Charge 0
Average Mass 329.75600
Monoisotopic Mass 329.07312
InChI InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2
InChIKey ZMYFCFLJBGAQRS-UHFFFAOYSA-N
SMILES Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
ChEBI Ontology
Outgoing 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole (CHEBI:83758) is a epoxide (CHEBI:32955)
1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole (CHEBI:83758) is a monochlorobenzenes (CHEBI:83403)
1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole (CHEBI:83758) is a monofluorobenzenes (CHEBI:83575)
1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole (CHEBI:83758) is a triazoles (CHEBI:35727)
Incoming (2R,3S)-epoxiconazole (CHEBI:83761) is a 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole (CHEBI:83758)
(2S,3R)-epoxiconazole (CHEBI:83759) is a 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole (CHEBI:83758)
IUPAC Name
1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
Last Modified
14 November 2014