Compound Identification
SMILES
NC1=C(C=NC(=S)N1)N=CC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=SXWPKCMBDHAOHC-UHFFFAOYSA-N
Formula
C11H9N5O2S
Mass
275.29
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 Pyrimidinethiones 2-Thiopyrimidines Aminopyrimidines and derivatives Hydropyrimidines Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organosulfur compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aminopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Shiff base - Aldimine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Imine - Organic oxide - 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