Compound Identification
SMILES
CCNC1=NC(SCC(=O)C2=CC=C(F)C=C2)=NC(NCC)=N1
InChIKey
InChIKey=PFAWMODPQXCXQF-UHFFFAOYSA-N
Formula
C15H18FN5OS
Mass
335.4
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
Benzoyl derivatives Aryl alkyl ketones Alkyl-2-thio-S-triazines 1,3,5-triazine-2,4-diamines N-aliphatic s-triazines Fluorobenzenes Alkylarylthioethers Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - 2,4-diamine-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Aryl alkyl ketone - Amino-1,3,5-triazine - Aminotriazine - Fluorobenzene - Halobenzene - N-aliphatic s-triazine - Alkylarylthioether - 1,3,5-triazine - Aryl halide - Monocyclic benzene moiety - Triazine - Aryl fluoride - Benzenoid - Heteroaromatic compound - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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