Compound Identification
SMILES
CC(=NNC(=O)C1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1)C1=CN=CC=C1
InChIKey
InChIKey=RNNRQGPSFOZCTJ-UHFFFAOYSA-N
Formula
C21H18ClN3OS
Mass
395.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thiophenol ethers Benzoyl derivatives Chlorobenzenes Alkylarylthioethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Thioether - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available