Compound Identification
SMILES
[O-][N+](=O)C1=C(C=C(Cl)C=C1)C(=O)N1CCN=C1SCC1=CC=CC=C1F
InChIKey
InChIKey=OXISVMWVPPJJSB-UHFFFAOYSA-N
Formula
C17H13ClFN3O3S
Mass
393.82
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
3-halobenzoic acids and derivatives
Alternative Parents
Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidazolines Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids and derivatives Organic oxoazanium compounds Organofluorides Organochlorides Hydrocarbon derivatives Organic salts Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - 2-imidazoline - C-nitro compound - Isothiourea - Organic nitro compound - Carboximidamide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available