Compound Identification
SMILES
IC1=CC=C(C=C1)C(=O)NC1=NN=C(NCC2=CC=CS2)S1
InChIKey
InChIKey=DPKRDSZEWQLSSZ-UHFFFAOYSA-N
Formula
C14H11IN4OS2
Mass
442.29
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives 2-amino-5-substituted-1,3,4-thiadiazoles Iodobenzenes Secondary alkylarylamines Aryl iodides Heteroaromatic compounds Thiophenes Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organoiodides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Iodobenzene - Secondary aliphatic/aromatic amine - 2-amino-5-substituted-1,3,4-thiadiazole - Aryl halide - Aryl iodide - 2-amino-1,3,4-thiadiazole - Heteroaromatic compound - Thiophene - Thiadiazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Secondary amine - Organoiodide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - 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