Compound Identification
SMILES
CC1=C[N+](=CC=C1)C1C(C2=CC=CC=C2[N+]([O-])=O)C(C#N)=C(S)N=C1[O-]
InChIKey
InChIKey=SSGOEFXYMKUIRN-UHFFFAOYSA-N
Formula
C18H14N4O3S
Mass
366.4
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
Nitroaromatic compounds Dihydropyridines Methylpyridines Pyridinium derivatives Cyclic carboximidic acids Heteroaromatic compounds Ketene acetals Alkylthiols Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Methylpyridine - Hydropyridine - Pyridine - Pyridinium - Cyclic carboximidic acid - Heteroaromatic compound - Organic nitro compound - Ketene acetal or derivatives - C-nitro compound - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Alkylthiol - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Cyanide - Organic salt - 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