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CHEBI:83684 - (S)-sertaconazole

ChEBI IDCHEBI:83684
ChEBI Name(S)-sertaconazole
Stars
ASCII Name(S)-sertaconazole
DefinitionA 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of sertaconazole.
Last Modified22 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H15Cl3N2OS
Net Charge0
Average Mass437.779
Monoisotopic Mass435.99707
SMILESClc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
InChIInChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m1/s1
InChIKeyJLGKQTAYUIMGRK-LJQANCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-sertaconazole (CHEBI:83684) is a 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:83682)
(S)-sertaconazole (CHEBI:83684) is conjugate base of (S)-sertaconazole(1+) (CHEBI:83698)
(S)-sertaconazole (CHEBI:83684) is enantiomer of arasertaconazole (CHEBI:83685)
Incoming Relation(s)
sertaconazole (CHEBI:82866) has part (S)-sertaconazole (CHEBI:83684)
(S)-sertaconazole(1+) (CHEBI:83698) is conjugate acid of (S)-sertaconazole (CHEBI:83684)
arasertaconazole (CHEBI:83685) is enantiomer of (S)-sertaconazole (CHEBI:83684)
IUPAC Name 
1-[(2S)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole