Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)N1C(=S)NC2=C(C(N(N=NC3=CC=C(Cl)C=C3)C(=O)N2)C2=CC=CC=C2Cl)C1=O
InChIKey
InChIKey=PUBPUVCQKGXRGB-UHFFFAOYSA-N
Formula
C24H15Cl2N7O4S
Mass
568.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds 2-Thiopyrimidines Chlorobenzenes Pyrimidones Pyrimidinethiones Aryl chlorides Vinylogous amides Semicarbazides Heteroaromatic compounds Lactams Thioureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Chlorobenzene - Halobenzene - Pyrimidinethione - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Semicarbazide - Lactam - C-nitro compound - Organic nitro compound - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available