Compound Identification
SMILES
COC1=C(OCC(=O)C2=CC=C(Cl)C=C2)C=CC(C=C(C#N)C2=NC(=CS2)C2=C(Cl)C=C(Cl)C=C2)=C1
InChIKey
InChIKey=LWTVXCMAEZNSQR-UHFFFAOYSA-N
Formula
C27H17Cl3N2O3S
Mass
555.85
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
Phenoxy compounds Methoxybenzenes Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Nitrile - Ether - Carbonitrile - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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