Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(COC2=C(Cl)C=C(C=C2)C(=S)N2CCN(CC3=CC=CC=C3)CC2)C=C1
InChIKey
InChIKey=NVAKCSKQJFUGRT-UHFFFAOYSA-N
Formula
C25H24ClN3O3S
Mass
482.0
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
Benzylamines Nitroaromatic compounds Phenol ethers Phenoxy compounds Phenylmethylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Thioamides Trialkylamines Organic oxoazanium compounds Thiocarboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organochlorides Thiocarbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Thioamide - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Thiocarboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Thiocarbonyl group - Organochloride - Organohalogen compound - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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