Compound Identification
SMILES
OC1=CC=CC=C1C1NC(=O)C(C#N)=C(NC2=CC=CC=C2Cl)S1
InChIKey
InChIKey=QWPLHAQEFMZNBK-UHFFFAOYSA-N
Formula
C17H12ClN3O2S
Mass
357.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Vinylogous thioesters 1,3-thiazines Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Lactams Ketene acetals Nitriles Azacyclic compounds Carbonyl compounds Amines Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Meta-thiazine - Aryl chloride - Aryl halide - Vinylogous thioester - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors
Not available