Compound Identification
SMILES
CCSC1=NN=C(NC(=O)CSC2=NN=C(NC(=O)C3=C(Cl)C=CC(Br)=C3)S2)S1
InChIKey
InChIKey=AFHLRCPSTJSPSL-UHFFFAOYSA-N
Formula
C15H12BrClN6O2S4
Mass
551.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives N-arylamides Alkylarylthioethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Organobromides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - N-arylamide - Halobenzene - Chlorobenzene - Alkylarylthioether - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Thiadiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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