Compound Identification
SMILES
CCC(SC1=NN=C(NC(=O)C2=CC(Cl)=C(Cl)C=C2)S1)C1=CN=CC=C1
InChIKey
InChIKey=MSFLJLSGVBCNFT-UHFFFAOYSA-N
Formula
C17H14Cl2N4OS2
Mass
425.35
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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzamides Dichlorobenzenes Benzoyl derivatives Alkylarylthioethers Pyridines and derivatives Aryl chlorides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - Thiadiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available