Compound Identification
SMILES
[O-][N+](=O)C(\CSC(=O)C1=CC=CC=C1)=C1/NCCN1CC1=CN=C(Cl)C=C1
InChIKey
InChIKey=TWDUSTVZJYMPCZ-BMRADRMJSA-N
Formula
C18H17ClN4O3S
Mass
404.87
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
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzoyl derivatives 2-halopyridines Aryl chlorides Heteroaromatic compounds Imidazolidines Thioesters C-nitro compounds Carbothioic S-esters Carboxylic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organochlorides Hydrocarbon derivatives Organooxygen compounds Amines Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Imidazolidine - C-nitro compound - Organic nitro compound - Thiocarboxylic acid ester - Carbothioic s-ester - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Amine - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available