Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(\C=N\NC(=O)CSC2=NN=C(SCC3=CC=CC=C3Cl)S2)C=C1
InChIKey
InChIKey=YLEUBPFHZWPVAF-AWQFTUOYSA-N
Formula
C18H14ClN5O3S3
Mass
479.97
Taxonomic Classification
Taxonomy Tree
-
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 Alkylarylthioethers Chlorobenzenes Aryl chlorides Thiadiazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiadiazole - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic oxide - Organohalogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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