Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)CSC1=NN=C(O1)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=CPQVVOXTPGVIRI-UHFFFAOYSA-N
Formula
C20H13BrN2O2S
Mass
425.3
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
Naphthalenes Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Bromobenzenes Aryl bromides 1,3,4-oxadiazoles Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Aldehydes Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Naphthalene - Aryl thioether - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Azacycle - Oxacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organopnictogen compound - Organic nitrogen compound - 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