Compound Identification
SMILES
COC1=CC=C(NC(=O)CSC2=NN=C(NC(=O)C3=CC(Cl)=CC(Cl)=C3)S2)C=C1
InChIKey
InChIKey=QRXFZSYVQVQGHI-UHFFFAOYSA-N
Formula
C18H14Cl2N4O3S2
Mass
469.36
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
Anilides Methoxyanilines Benzamides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Anilide - Methoxyaniline - Anisole - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - N-arylamide - Aryl thioether - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Thioether - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - 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