Compound Identification
SMILES
COC1=CC=CC=C1C(=O)NNC(=O)C1=CC=C(Br)S1
InChIKey
InChIKey=QLECXGNKMIGNPI-UHFFFAOYSA-N
Formula
C13H11BrN2O3S
Mass
355.21
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
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thiophene carboxamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Carboxylic acid hydrazides Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Phenol ether - Benzoyl - Alkyl aryl ether - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Carboxylic acid hydrazide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available