Compound Identification
SMILES
CCOC1=CC=C(NC(=O)CSC2=NN=C(NC(=O)C3=C(Cl)C=CC(Br)=C3)S2)C=C1
InChIKey
InChIKey=LOGMCHIHAOFPIG-UHFFFAOYSA-N
Formula
C19H16BrClN4O3S2
Mass
527.84
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 Anilides Benzamides Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Organobromides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Anilide - Benzamide - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl chloride - Aryl halide - Thiadiazole - Heteroaromatic compound - Azole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organohalogen compound - Organobromide - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen 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