Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NCSC2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=OWRLOGVOPJWMPD-UHFFFAOYSA-N
Formula
C13H11ClN2O2S
Mass
294.75
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
Thiophenol ethers Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Chlorobenzenes Alkylarylthioethers Aryl chlorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Phenylalkylamine - Thiophenol ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Thioether - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organochloride - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic 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