Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(CSC2=NCCN2C(=O)C2=CC(Br)=CC=C2)=C1
InChIKey
InChIKey=ZUZFDQPRWQMZMJ-UHFFFAOYSA-N
Formula
C17H14BrN3O3S
Mass
420.28
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 Bromobenzenes Aryl bromides Imidazolines Isothioureas Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organobromides Organic salts Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 2-imidazoline - Organic nitro compound - C-nitro compound - Isothiourea - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - 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