Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(CSC2=NC(=O)N3C=C(Cl)C=CC3=N2)C=C1
InChIKey
InChIKey=IKWNVZASPXBMKT-UHFFFAOYSA-N
Formula
C14H9ClN4O3S
Mass
348.76
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
Alkyl-2-thio-S-triazines Nitroaromatic compounds Triazinones Alkylarylthioethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organooxygen compounds Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Alkyl-2-thio-s-triazine - Aryl thioether - Nitroaromatic compound - Triazinone - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - 1,3,5-triazine - Triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic cation - 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