Compound Identification
SMILES
ClC1=C(Cl)C=C(C=C1)C(=O)NC1=NN=C(NCCCN2C=CN=C2)S1
InChIKey
InChIKey=NHYXPQVQYJNAPU-UHFFFAOYSA-N
Formula
C15H14Cl2N6OS
Mass
397.28
Taxonomic Classification
Taxonomy Tree
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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
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzamides Dichlorobenzenes Benzoyl derivatives Secondary alkylarylamines 2-amino-5-substituted-1,3,4-thiadiazoles Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,2-dichlorobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - 2-amino-1,3,4-thiadiazole - Aryl chloride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Thiadiazole - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available