Compound Identification
SMILES
O[N+]([O-])=O.ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1
InChIKey
InChIKey=ZHPWRQIPPNZNML-UHFFFAOYSA-N
Formula
C19H18Cl3N3O3S
Mass
474.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Thiophenol ethers Dichlorobenzenes Alkylarylthioethers Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Organic nitrates Organic nitro compounds Organic nitric acids Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Aryl thioether - 1,3-dichlorobenzene - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Organic nitrate - Organic nitro compound - Organic nitric acid or derivatives - Organic nitric acid - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Azacycle - Thioether - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
CHEBI:3241 : conazole antifungal drug - organic nitrate salt - aryl sulfide - imidazoles - imidazole antifungal drug