Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CSC(SCC(=O)NC2=C(C=CC(C)=C2C)[N+]([O-])=O)=N1
InChIKey
InChIKey=JJCMMCDBMHPSKJ-UHFFFAOYSA-N
Formula
C20H19N3O3S2
Mass
413.51
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
Anilides Nitrotoluenes o-Xylenes Nitroaromatic compounds N-arylamides 2,4-disubstituted thiazoles Alkylarylthioethers Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - O-xylene - Xylene - 2,4-disubstituted 1,3-thiazole - Toluene - Alkylarylthioether - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Carbonyl group - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - 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