Compound Identification
SMILES
CCOC(=O)C1=C2C=CC=CN2C2=C1SC(C(=O)C1=CC=C(Cl)C=C1)=C2C
InChIKey
InChIKey=ZHJGLUPLCZZDGA-UHFFFAOYSA-N
Formula
C21H16ClNO3S
Mass
397.87
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 Aryl-phenylketones
-
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
Aryl-phenylketones
Alternative Parents
Indolizines Benzoyl derivatives Thiophene carboxylic acids and derivatives Thienopyrroles Pyrrole carboxylic acids and derivatives Chlorobenzenes Substituted pyrroles Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - Indolizine - Pyrrolopyridine - Benzoyl - Thiophene carboxylic acid or derivatives - Thienopyrrole - Pyrrole-3-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Thiophene - Pyrrole - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available