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CHEBI:83140 - (S)-penthiopyrad

ChEBI IDCHEBI:83140
ChEBI Name(S)-penthiopyrad
Stars
ASCII Name(S)-penthiopyrad
DefinitionA 1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)pyrazole-4-carboxamide that is the (S)-enantiomer of penthiopyrad.
Last Modified24 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H20F3N3OS
Net Charge0
Average Mass359.417
Monoisotopic Mass359.12792
SMILESCC(C)C[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)/t10-/m0/s1
InChIKeyPFFIDZXUXFLSSR-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-penthiopyrad (CHEBI:83140) is a 1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CHEBI:83138)
(S)-penthiopyrad (CHEBI:83140) is enantiomer of (R)-penthiopyrad (CHEBI:83141)
Incoming Relation(s)
penthiopyrad (CHEBI:81777) has part (S)-penthiopyrad (CHEBI:83140)
(R)-penthiopyrad (CHEBI:83141) is enantiomer of (S)-penthiopyrad (CHEBI:83140)
IUPAC Name 
1-methyl-N-{2-[(2S)-4-methylpentan-2-yl]-3-thienyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Registry NumbersSources
Reaxys:12376368Reaxys