Compound Identification
SMILES
CCCCCCCCCCCNC1=NN=C(NC(=O)C2=C(Cl)C=CC=C2Cl)S1
InChIKey
InChIKey=XYFDCKZUSPHBFX-UHFFFAOYSA-N
Formula
C20H28Cl2N4OS
Mass
443.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
Benzamides Dichlorobenzenes Benzoyl derivatives Secondary alkylarylamines 2-amino-5-substituted-1,3,4-thiadiazoles Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - Secondary aliphatic/aromatic amine - 2-amino-1,3,4-thiadiazole - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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