Compound Identification
SMILES
CCC1=NN(CN2CCOCC2)C(=S)N1N=CC1=CC=C(O1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=BHLLLKNFZSZSOA-UHFFFAOYSA-N
Formula
C20H22ClN5O2S
Mass
431.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- 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
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Morpholines Aryl chlorides Triazolines Triazoles Heteroaromatic compounds Furans Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Triazoline - Azole - Heteroaromatic compound - Furan - 1,2,4-triazole - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available