Compound Identification
SMILES
CC1=C(C=CO1)C(=O)NNC(=S)NC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KHURXSMAWLZWII-UHFFFAOYSA-N
Formula
C14H12ClN3O3S
Mass
337.78
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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Furan-3-carboxylic acid and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Thiosemicarbazides Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiosemicarbazide - Furan - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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