EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84010 - (R)-prothioconazole

ChEBI IDCHEBI:84010
ChEBI Name(R)-prothioconazole
Stars
ASCII Name(R)-prothioconazole
DefinitionA 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (R)-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-/m1/s1
InChIKeyMNHVNIJQQRJYDH-CQSZACIVSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-prothioconazole (CHEBI:84010) is a 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione (CHEBI:84008)
(R)-prothioconazole (CHEBI:84010) is enantiomer of (S)-prothioconazole (CHEBI:84009)
Incoming Relation(s)
prothioconazole (CHEBI:82036) has part (R)-prothioconazole (CHEBI:84010)
(S)-prothioconazole (CHEBI:84009) is enantiomer of (R)-prothioconazole (CHEBI:84010)
Synonym  Source
2-[(2R)-2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thioneChEBI