Compound Identification
SMILES
[O-][N+](=O)C1=CC(C(=O)N2CCN=C2SCC2=CC=C(Cl)C=C2)=C(Cl)C=C1
InChIKey
InChIKey=HSSLNCMUGWQIKV-UHFFFAOYSA-N
Formula
C17H13Cl2N3O3S
Mass
410.27
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
Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Imidazolines Vinylogous halides Isothioureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 2-imidazoline - Vinylogous halide - Isothiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Carboximidamide - Sulfenyl compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Organic cation - 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