Compound Identification
SMILES
ClC1=C(Cl)C=C(C=C1)C(=O)NNC(=S)NC1=CC=C(NC2=CC=CC=C2)C=C1
InChIKey
InChIKey=RQLJATAGQPTAMF-UHFFFAOYSA-N
Formula
C20H16Cl2N4OS
Mass
431.34
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 Dichlorobenzenes Benzoyl derivatives Aniline and substituted anilines Primary aromatic amines Aryl chlorides Thiosemicarbazides Carboxylic acid hydrazides Amino acids and derivatives Secondary amines Organosulfur compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Thiosemicarbazide - Amino acid or derivatives - Carboxylic acid hydrazide - Carboxylic acid derivative - Secondary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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