Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)N1NC(=NC1=O)C1=CC(Br)=C(Br)S1
InChIKey
InChIKey=LMLWFGLTAZUJSX-UHFFFAOYSA-N
Formula
C13H8Br2ClN3O2S
Mass
465.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
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Level 5
Triazolones
- Level 6 Aryl 1,2,4-triazolones
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Level 5
Triazolones
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Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Triazolones
Direct Parent
Aryl 1,2,4-triazolones
Alternative Parents
Phenyl-1,2,4-triazoles Methoxyanilines Phenoxy compounds 2,3,5-trisubstituted thiophenes Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - Aryl 1,2,4-triazol-3-one - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - 2,3,5-trisubstituted thiophene - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Ether - Azacycle - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.
External Descriptors
Not available