Compound Identification
SMILES
CCCC(=O)C1=CC=C(NC2=NC3=CC=CN=C3S2)C=C1
InChIKey
InChIKey=YIUUOMAOMFSEQR-UHFFFAOYSA-N
Formula
C16H15N3OS
Mass
297.38
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
Butyrophenones Benzoyl derivatives Aryl alkyl ketones Methylpyridines Alpha-branched alpha,beta-unsaturated ketones Thiazolines Thiazoles Heteroaromatic compounds Enones Acryloyl compounds Sulfenyl compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Imidothioic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Methylpyridine - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Meta-thiazoline - Thiazole - Enone - Azole - Acryloyl-group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Secondary amine - Imidothioic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - 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