EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:235496 - (S)-carmeconazole

ChEBI IDCHEBI:235496
ChEBI Name(S)-carmeconazole
Stars
ASCII Name(S)-carmeconazole
DefinitionThe (S)-enantiomer of carmeconazole.
Last Modified19 September 2025
SubmitterAdnan
DownloadsMolfile
FormulaC18H15Cl2N3O4
Net Charge0
Average Mass408.241
Monoisotopic Mass407.04396
SMILESCOC(=O)[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C18H15Cl2N3O4/c1-26-17(24)18(25,9-23-11-21-10-22-23)15-7-6-14(8-16(15)20)27-13-4-2-12(19)3-5-13/h2-8,10-11,25H,9H2,1H3/t18-/m1/s1
InChIKeyJABCRSAQEYNUAS-GOSISDBHSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-carmeconazole (CHEBI:235496) is a methyl 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoate (CHEBI:235497)
(S)-carmeconazole (CHEBI:235496) is enantiomer of (R)-carmeconazole (CHEBI:235495)
Incoming Relation(s)
carmeconazole (CHEBI:235494) has part (S)-carmeconazole (CHEBI:235496)
(R)-carmeconazole (CHEBI:235495) is enantiomer of (S)-carmeconazole (CHEBI:235496)
IUPAC Name 
methyl (2S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoate