Compound Identification
SMILES
CC1=C(NC(=O)CSC2=NNC(CNC(=O)C3=CC=C(Cl)C=C3)=N2)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=GTLXJAOVYWIGRD-UHFFFAOYSA-N
Formula
C19H17ClN6O4S
Mass
460.89
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
Anilides Benzamides Nitrobenzenes Nitrotoluenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Alkylarylthioethers Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitrotoluene - Anilide - Aryl thioether - Nitroaromatic compound - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - 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