Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)NN=C1SC1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O

InChIKey

InChIKey=QBGASYRNLCTDIF-UHFFFAOYSA-N

Formula

C17H14F3N3O4S

Mass

413.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones - Alkyl-phenylketones

Direct Parent

Benzoylcyclohexane-1,3-diones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoylcyclohexane-1,3-dione - Diarylthioether - Trifluoromethylbenzene - Aryl thioether - Benzoyl - Thiophenol ether - Aryl alkyl ketone - 1,3-diketone - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - 1,2,4-triazole - Cyclic ketone - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione.

External Descriptors

Not available

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