Compound Identification
SMILES
[O-][N+](=O)C1=C(Cl)C=CC(=C1)C1=CSC(=N1)C1CCN(CC2=NC=CN2)CC1
InChIKey
InChIKey=WQRQNFNGDVZSPA-UHFFFAOYSA-N
Formula
C18H18ClN5O2S
Mass
403.89
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 2,4-disubstituted thiazoles Aralkylamines Chlorobenzenes Aryl chlorides Piperidines Imidazoles Heteroaromatic compounds Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Imidazole - Thiazole - C-nitro compound - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic oxide - Organic salt - Amine - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic zwitterion - 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