CHEBI:84001 - (S)-tetraconazole

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ChEBI Name (S)-tetraconazole
ChEBI ID CHEBI:84001
ChEBI ASCII Name (S)-tetraconazole
Definition A 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole that is the (S)-enantiomer of tetraconazole.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H11Cl2F4N3O
Net Charge 0
Average Mass 372.14600
Monoisotopic Mass 371.02153
InChI InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2/t8-/m0/s1
InChIKey LQDARGUHUSPFNL-QMMMGPOBSA-N
SMILES FC(F)C(F)(F)OC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl
ChEBI Ontology
Outgoing (S)-tetraconazole (CHEBI:84001) is a 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999)
(S)-tetraconazole (CHEBI:84001) is enantiomer of (R)-tetraconazole (CHEBI:84000)
Incoming tetraconazole (CHEBI:81782) has part (S)-tetraconazole (CHEBI:84001)
(R)-tetraconazole (CHEBI:84000) is enantiomer of (S)-tetraconazole (CHEBI:84001)
IUPAC Name
1-[(2S)-2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole
Synonyms Sources
(-)-Tetraconazole ChemIDplus
S-(-)-Tetraconazole ChemIDplus
Registry Numbers Types Sources
131320-42-8 CAS Registry Number ChemIDplus
6638562 Reaxys Registry Number Reaxys
Last Modified
04 December 2014