Compound Identification
SMILES
Cl.Cl.NC1=CC=C(SC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=MTFNUOQPDZTDND-SQVDYUJVSA-N
Formula
C20H21Cl4N3O2S
Mass
509.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
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Level 5
Chlorobenzenes
- Level 6 Dichlorobenzenes
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Level 5
Chlorobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Thiophenol ethers Aniline and substituted anilines Alkylarylthioethers Ketals Primary aromatic amines Aryl chlorides N-substituted imidazoles 1,3-dioxolanes Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organochlorides Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - 1,3-dichlorobenzene - Thiophenol ether - Aniline or substituted anilines - Ketal - Alkylarylthioether - Aryl chloride - Aryl halide - N-substituted imidazole - Primary aromatic amine - Meta-dioxolane - Azole - Imidazole - Heteroaromatic compound - Oxacycle - Thioether - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Acetal - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors
Not available