Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1SCC(=O)N1C1=NC=CC=N1
InChIKey
InChIKey=SBENFSUHZIOEEU-UHFFFAOYSA-N
Formula
C13H10N4O3S
Mass
302.31
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 Pyrimidines and pyrimidine derivatives Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organooxygen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen 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