Compound Identification
SMILES
CCN1C(CNC(=O)C2=CC=CC=C2Cl)=NN=C1SCC(=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=GQMCPCRLNGQCJB-UHFFFAOYSA-N
Formula
C21H21ClN4O3S
Mass
444.93
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
2-halobenzoic acids and derivatives Benzamides Anisoles Phenoxy compounds Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Heteroaromatic compound - 1,2,4-triazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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