Compound Identification
SMILES
COC1=C(C=C(C)C=C1)N=C1SCCCN1C(=O)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=HZSJUPXCUIKKCH-UHFFFAOYSA-N
Formula
C19H18Cl2N2O2S
Mass
409.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Dichlorobenzenes Toluenes Alkyl aryl ethers Thiazinanes Aryl chlorides Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Methoxyaniline - Anisole - Benzoyl - 1,2-dichlorobenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl halide - 1,3-thiazinane - Aryl chloride - Isothiourea - Ether - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available