Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=S)NN=C1CN1C2=C(C=C(Br)C=C2)C2=NC3=CC=CC=C3N=C12
InChIKey
InChIKey=JKAKKUDSNROZEE-UHFFFAOYSA-N
Formula
C24H17BrN6OS
Mass
517.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Quinoxalines N-alkylindoles Indoles Methoxyanilines Pyrrolopyrazines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrazines Substituted pyrroles Aryl bromides Triazolines Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Organonitrogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Quinoxaline - N-alkylindole - Indole - Methoxyaniline - Pyrrolopyrazine - Indole or derivatives - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Aryl bromide - Pyrazine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Triazoline - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available