Compound Identification
SMILES
CC1=C(SC(NC(=O)C2=CC(Cl)=CC=C2)=N1)C1=CSC(NC2=C(C)C=CC(Cl)=C2)=N1
InChIKey
InChIKey=FQDFECYHWZKVOH-UHFFFAOYSA-N
Formula
C21H16Cl2N4OS2
Mass
475.41
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides 2,4,5-trisubstituted thiazoles Aniline and substituted anilines Benzoyl derivatives Toluenes 2,4-disubstituted thiazoles Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available