Compound Identification
SMILES
CC1=CC(SC(=O)C2=CC(=CC=C2)[N+]([O-])=O)=NC(=S)N1
InChIKey
InChIKey=KEOCCBSHSLLYEP-UHFFFAOYSA-N
Formula
C12H9N3O3S2
Mass
307.34
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
Thiobenzoic acids and derivatives Benzoic acids and derivatives Aryl thioethers Benzoyl derivatives Nitroaromatic compounds Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Heteroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Organic nitro compound - Thiocarboxylic acid ester - Carbothioic s-ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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