CHEBI:121203 - 5-[2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-4-isothiazolecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-[2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-4-isothiazolecarbonitrile
ChEBI ID CHEBI:121203
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H10Cl2F4N4OS2
Net Charge 0
Average Mass 521.341
Monoisotopic Mass 519.96092
InChI InChI=1S/C19H10Cl2F4N4OS2/c20-13-2-1-3-15(22)12(13)9-30-28-5-4-16-11(7-26)17(29-32-16)31-18-14(21)6-10(8-27-18)19(23,24)25/h1-3,5-6,8H,4,9H2
InChIKey GJAQSWVFYUZJGE-UHFFFAOYSA-N
SMILES C1=CC(=C(C(=C1)Cl)CON=CCC2=C(C(=NS2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)F
ChEBI Ontology
Outgoing 5-[2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-4-isothiazolecarbonitrile (CHEBI:121203) is a aryl sulfide (CHEBI:35683)
Manual Xref Database
LSM-32646 LINCS
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