Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(=O)NNC(=S)NC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=HYBRTYBRTCTQAA-UHFFFAOYSA-N
Formula
C16H13BrClN3O3S
Mass
442.71
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
3-halobenzoic acids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Thiosemicarbazides Carboxylic acid hydrazides Organic oxides Organobromides Organosulfur compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl bromide - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organobromide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - Organooxygen compound - Organohalogen compound - Aromatic homomonocyclic 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