EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:83277 - flutianil

ChEBI IDCHEBI:83277
ChEBI Nameflutianil
Stars
DefinitionA member of the class of thiazolidines that is N-(o-methoxyphenyl)thiazolidine which is substituted at position 2 by a methylene group, the hydrogens of which are replaced by cyano and [2-fluoro-5-(trifluoromethyl)phenyl]sulfanediyl groups; the double bond conjugated to the cyano group has Z configuration. A fungicide intended for use on horticultural crops including strawberries and grapevines.
Last Modified6 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H14F4N2OS2
Net Charge0
Average Mass426.460
Monoisotopic Mass426.04837
SMILESCOc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17-
InChIKeyKGXUEPOHGFWQKF-ZCXUNETKSA-N
Roles Classification
Biological Role:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
flutianil (CHEBI:83277) has role antifungal agrochemical (CHEBI:86328)
flutianil (CHEBI:83277) is a (trifluoromethyl)benzenes (CHEBI:83565)
flutianil (CHEBI:83277) is a aromatic ether (CHEBI:35618)
flutianil (CHEBI:83277) is a aryl sulfide (CHEBI:35683)
flutianil (CHEBI:83277) is a monofluorobenzenes (CHEBI:83575)
flutianil (CHEBI:83277) is a nitrile (CHEBI:18379)
flutianil (CHEBI:83277) is a thiazolidines (CHEBI:35622)
IUPAC Name 
(2Z)-{[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl}[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
Synonyms  Source
(Z)-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene](α,α,α,4-tetrafluoro-m-tolylthio)acetonitrileAlan Wood's Pesticides
(2Z)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]acetonitrileAlan Wood's Pesticides
Manual XrefsDatabases
2608PPDB
Registry NumbersSources
Reaxys:15619886Reaxys
CAS:958647-10-4ChemIDplus