Compound Identification
SMILES
OCCSC1=C(C=C(C=C2SC(=O)N(C2=O)C2=CC=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=WLOAGDRJVSTNKA-UHFFFAOYSA-N
Formula
C18H14N2O5S2
Mass
402.44
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 Nitroaromatic compounds Thiazolidinediones Alkylarylthioethers Dicarboximides Thiocarbamic acid derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Thiazolidinedione - Alkylarylthioether - Dicarboximide - Thiazolidine - C-nitro compound - Organic nitro compound - Thiocarbamic acid derivative - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - 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