Compound Identification
SMILES
COC(=O)CC(=O)CSC1=C(C#N)C(=CC(C)=N1)C(F)(F)F
InChIKey
InChIKey=OZJMUSSTRIOARH-UHFFFAOYSA-N
Formula
C13H11F3N2O3S
Mass
332.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
- Subclass Aryl thioethers
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Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
3-pyridinecarbonitriles Alkylarylthioethers Beta-keto acids and derivatives Fatty acid methyl esters Methylpyridines 1,3-dicarbonyl compounds Methyl esters Heteroaromatic compounds Ketones Sulfenyl compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - 3-pyridinecarbonitrile - Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Alkylarylthioether - Methylpyridine - Keto acid - Pyridine - 1,3-dicarbonyl compound - Fatty acyl - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Sulfenyl compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Cyanide - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available