Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CSC(NN=C(CC(=O)C2=CC=C(Br)C=C2)C(F)(F)F)=N1
InChIKey
InChIKey=MMPTWBDMGGAYTQ-UHFFFAOYSA-N
Formula
C20H15BrF3N3O2S
Mass
498.32
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
Butyrophenones Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Methoxybenzenes 2,4-disubstituted thiazoles Bromobenzenes Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Hydrazones Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Hydrazone - Ether - Organofluoride - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl fluoride - Alkyl halide - 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