Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)CSC1=C(C=C(C2=CC=CS2)C(=O)N1)C#N
InChIKey
InChIKey=MCPCOSCPAHXIJU-UHFFFAOYSA-N
Formula
C18H11BrN2O2S2
Mass
431.32
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
3-pyridinecarbonitriles Aryl alkyl ketones Benzoyl derivatives Pyridinones Alkylarylthioethers Dihydropyridines Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl thioether - Aryl alkyl ketone - 3-pyridinecarbonitrile - Bromobenzene - Dihydropyridine - Halobenzene - Pyridinone - Alkylarylthioether - Aryl bromide - Benzenoid - Aryl halide - Hydropyridine - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carbonitrile - Nitrile - Organic oxide - Hydrocarbon derivative - Cyanide - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen 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