Compound Identification
SMILES
COCCNC1=NN=C(SCC(=O)C2=CC(Cl)=C(OC)C=C2)S1
InChIKey
InChIKey=COTYKQIMTPSWQZ-UHFFFAOYSA-N
Formula
C14H16ClN3O3S2
Mass
373.87
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
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Level 6
Aryl ketones
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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
Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkylarylthioethers Alkyl aryl ethers 2-amino-5-substituted-1,3,4-thiadiazoles Aryl chlorides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Amines Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Aryl thioether - Phenoxy compound - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Benzenoid - 2-amino-1,3,4-thiadiazole - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiadiazole - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Thioether - Dialkyl ether - Ether - Organosulfur compound - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen 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