Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1C(=O)NNCN1C(=O)CSC1=S
InChIKey
InChIKey=TYVUERCNWYIPMK-UHFFFAOYSA-N
Formula
C11H10N4O4S2
Mass
326.35
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
Benzoic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Thiazolidinethiones Cyclic dithiocarbamic acid esters Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organic nitrogen 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