Compound Identification
SMILES
CCSC1=NN=C(C)N1NC(=S)NC(=O)C1=CC=C(O1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=ZDDURDUUXXDGJC-UHFFFAOYSA-N
Formula
C17H16N6O4S2
Mass
432.47
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
Furoic acid and derivatives Nitroaromatic compounds Alkylarylthioethers Triazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Furoic acid or derivatives - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Azole - 1,2,4-triazole - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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