Compound Identification
SMILES
C[NH+](C)CCCNC(=S)NNC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=VTEAVEGZKPZUNR-UHFFFAOYSA-O
Formula
C12H20N5O2S
Mass
298.38
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
Phenylhydrazines Nitroaromatic compounds Thiosemicarbazides Quaternary ammonium salts Trialkylamines Organic oxoazanium compounds Organosulfur compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Quaternary ammonium salt - Thiosemicarbazide - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic oxoazanium - Amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic 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