Compound Identification
SMILES
NC(=O)C1=C(NC(=S)NC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)SC2=C1CCCC2
InChIKey
InChIKey=RZPJHEMJNGQYST-UHFFFAOYSA-N
Formula
C17H15ClN4O4S2
Mass
438.9
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
Nitrobenzenes Thiophene carboxamides Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Thioureas Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitrobenzene - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Primary carboxylic acid amide - Carboxamide group - Thiourea - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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