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CHEBI:84007 - (S)-triticonazole

ChEBI IDCHEBI:84007
ChEBI Name(S)-triticonazole
Stars
ASCII Name(S)-triticonazole
DefinitionA (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol that is the (S)-enantiomer of triticonazole.
Last Modified5 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC17H20ClN3O
Net Charge0
Average Mass317.820
Monoisotopic Mass317.12949
SMILESCC1(C)CC/C(=C\c2ccc(Cl)cc2)[C@]1(O)Cn1cncn1
InChIInChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+/t17-/m1/s1
InChIKeyPPDBOQMNKNNODG-RKCSUWQLSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-triticonazole (CHEBI:84007) is a (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005)
(S)-triticonazole (CHEBI:84007) is enantiomer of (R)-triticonazole (CHEBI:84006)
Incoming Relation(s)
triticonazole (CHEBI:81980) has part (S)-triticonazole (CHEBI:84007)
(R)-triticonazole (CHEBI:84006) is enantiomer of (S)-triticonazole (CHEBI:84007)
IUPAC Name 
(1S,5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol