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CHEBI:77903 - (S)-tioconazole

ChEBI IDCHEBI:77903
ChEBI Name(S)-tioconazole
Stars
ASCII Name(S)-tioconazole
DefinitionA 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of tioconazole.
Last Modified26 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H13Cl3N2OS
Net Charge0
Average Mass387.719
Monoisotopic Mass385.98142
SMILESClc1ccc([C@@H](Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m1/s1
InChIKeyQXHHHPZILQDDPS-OAHLLOKOSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-tioconazole (CHEBI:77903) is a 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:77898)
Incoming Relation(s)
tioconazole (CHEBI:9604) has part (S)-tioconazole (CHEBI:77903)
IUPAC Name 
1-[(2S)-2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
Registry NumbersSources
Reaxys:6961339Reaxys