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CHEBI:84009 - (S)-prothioconazole

ChEBI IDCHEBI:84009
ChEBI Name(S)-prothioconazole
Stars
ASCII Name(S)-prothioconazole
DefinitionA 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (S)-enantiomer of prothioconazole.
Last Modified10 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H15Cl2N3OS
Net Charge0
Average Mass344.267
Monoisotopic Mass343.03129
SMILESO[C@@](Cc1ccccc1Cl)(Cn1ncnc1=S)C1(Cl)CC1
InChIInChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)/t14-/m0/s1
InChIKeyMNHVNIJQQRJYDH-AWEZNQCLSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-prothioconazole (CHEBI:84009) is a 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione (CHEBI:84008)
(S)-prothioconazole (CHEBI:84009) is enantiomer of (R)-prothioconazole (CHEBI:84010)
Incoming Relation(s)
prothioconazole (CHEBI:82036) has part (S)-prothioconazole (CHEBI:84009)
(R)-prothioconazole (CHEBI:84010) is enantiomer of (S)-prothioconazole (CHEBI:84009)
IUPAC Name 
2-[(2S)-2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione