Compound Identification
SMILES
ClC1=CC=C(S1)C(=O)CCNCC#C
InChIKey
InChIKey=PLZFCIDZCKPRRT-UHFFFAOYSA-N
Formula
C10H10ClNOS
Mass
227.71
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
2,5-disubstituted thiophenes Beta-amino ketones Aryl chlorides Heteroaromatic compounds Dialkylamines Acetylides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Beta-aminoketone - Thiophene - Heteroaromatic compound - Acetylide - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available