Compound Identification
SMILES
CC1=NN=C(SCC2=CC=CC=C2)N1NC(=S)NC(=O)C1=C(Cl)C=CC(Br)=C1
InChIKey
InChIKey=YERFCSCHZGKMLM-UHFFFAOYSA-N
Formula
C18H15BrClN5OS2
Mass
496.83
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 Benzoyl derivatives Alkylarylthioethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Organobromides Organooxygen compounds Organochlorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Bromobenzene - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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