Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC(SC(=O)C2=CC=C(Br)C=C2)=C(NC2=CC=CC=C2)S1
InChIKey
InChIKey=DZPHHKSKJJVSJA-UHFFFAOYSA-N
Formula
C23H17BrN2O2S2
Mass
497.43
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
4-halobenzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives 2,4,5-trisubstituted thiazoles Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Aryl thioethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aminothiazoles Aryl bromides Heteroaromatic compounds Thioesters Amino acids and derivatives Carbothioic S-esters Secondary amines Sulfenyl compounds Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Thiobenzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Aryl thioether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3-thiazolamine - Heteroaromatic compound - Azole - Thiazole - Amino acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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