Compound Identification
SMILES
FC1=CC=CC(=C1)C(=O)CSC1=NN=C(O1)[C@H]1COC2=CC=CC=C2O1
InChIKey
InChIKey=GGMCJRCDWPCKTA-MRXNPFEDSA-N
Formula
C18H13FN2O4S
Mass
372.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Benzo-1,4-dioxanes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Para dioxins Aryl fluorides 1,3,4-oxadiazoles Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzodioxane - Benzo-1,4-dioxane - Aryl thioether - Benzoyl - Aryl alkyl ketone - Halobenzene - Alkyl aryl ether - Fluorobenzene - Alkylarylthioether - Aryl fluoride - Para-dioxin - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Oxadiazole - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available