Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)CSC1=NN=C(N1C1=CC=C(Br)C=C1)C1=CC=NC=C1
InChIKey
InChIKey=LIWWQLTWZJFRSO-UHFFFAOYSA-N
Formula
C23H19BrN4O2S
Mass
495.4
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
Pyridyl-1,2,4-triazoles Phenyl-1,2,4-triazoles Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organobromides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyltriazole - Pyridyl-1,2,4-triazole - Benzoyl - Aryl alkyl ketone - Phenol ether - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Organoheterocyclic compound - Ether - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - 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