Compound Identification
SMILES
CC(C)NC1=NC(=NC(NC(=O)C2=C(Cl)C=C(C=C2)S(C)(=O)=O)=N1)C1=CC=CC=N1
InChIKey
InChIKey=OXFHSXMBTGNNNE-UHFFFAOYSA-N
Formula
C19H19ClN6O3S
Mass
446.91
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzenesulfonyl compounds Benzamides Benzoyl derivatives Secondary alkylarylamines N-aliphatic s-triazines Chlorobenzenes Pyridines and derivatives 1,3,5-triazines Aryl chlorides Vinylogous halides Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Benzoyl - Amino-1,3,5-triazine - Aminotriazine - Chlorobenzene - Halobenzene - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - 1,3,5-triazine - Triazine - Pyridine - Heteroaromatic compound - Vinylogous halide - Sulfonyl - Sulfone - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available