Compound Identification
SMILES
COCCN(C)CC1=CC=C(C=C1)C1=CSC(=N1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=VUYVJLUAWYKBBW-UHFFFAOYSA-N
Formula
C20H21N3O3S
Mass
383.47
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
Phenylmethylamines Nitroaromatic compounds Benzylamines Aralkylamines 2,4-disubstituted thiazoles Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Azacycle - Ether - Organic oxoazanium - Organic salt - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxide - Organic cation - 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