EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:83995 - (S)-penconazole

ChEBI IDCHEBI:83995
ChEBI Name(S)-penconazole
Stars
ASCII Name(S)-penconazole
DefinitionA 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole that is the (S)-enantiomer of penconazole.
Last Modified4 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC13H15Cl2N3
Net Charge0
Average Mass284.190
Monoisotopic Mass283.06430
SMILESCCC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3/t10-/m1/s1
InChIKeyWKBPZYKAUNRMKP-SNVBAGLBSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-penconazole (CHEBI:83995) is a 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole (CHEBI:83993)
(S)-penconazole (CHEBI:83995) is enantiomer of (R)-penconazole (CHEBI:83994)
Incoming Relation(s)
penconazole (CHEBI:81970) has part (S)-penconazole (CHEBI:83995)
(R)-penconazole (CHEBI:83994) is enantiomer of (S)-penconazole (CHEBI:83995)
IUPAC Name 
1-[(2S)-2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole