Compound Identification
SMILES
ClC1=C(Cl)C=C(CSC2=NCCN2C(=O)C2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=XYWBFYFCPBSYSG-UHFFFAOYSA-N
Formula
C17H13BrCl2N2OS
Mass
444.17
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
Benzoyl derivatives Dichlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Imidazolines Isothioureas Sulfenyl compounds Carboxylic acids and derivatives Carboximidamides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organooxygen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous halide - 2-imidazoline - Isothiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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