Compound Identification
SMILES
CC1=C(NC(=O)CSC2=NN=C(N2CCC(N)=O)C2=CC=CS2)C(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=ZRVXJPCBMRWWEU-UHFFFAOYSA-N
Formula
C18H18N6O4S2
Mass
446.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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 N-arylamides Nitroaromatic compounds Alkylarylthioethers Triazoles Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitrotoluene - N-arylamide - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Toluene - Heteroaromatic compound - Azole - Thiophene - 1,2,4-triazole - Carboxamide group - Organic nitro compound - C-nitro compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organoheterocyclic compound - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - 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