Compound Identification
SMILES
CSC1=NC2=C(S1)C1=C(C=C2)N=C(NC(=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=YRZOIOFXDAHYHT-UHFFFAOYSA-N
Formula
C16H9ClN4O3S3
Mass
436.9
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzothiazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available