Compound Identification
SMILES
NC1=C2N=C(NC3=CC=CC=C3)SC2=NC(=S)N1C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=PQNRQLWDQOUEIF-UHFFFAOYSA-N
Formula
C17H12N6O2S2
Mass
396.44
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
1,3-thiazolo[5,4-d]pyrimidines Aniline and substituted anilines Nitroaromatic compounds Pyrimidinethiones Aminopyrimidines and derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organosulfur compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-thiazolo[5,4-d]pyrimidine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Pyrimidinethione - Pyrimidine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic 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