Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C1=NN=C2SC(CNC3=CC=C(C)C=C3)=NN12
InChIKey
InChIKey=SMKSAUCDVBKETA-UHFFFAOYSA-N
Formula
C18H16BrN5OS
Mass
430.32
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
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
Phenylalkylamines Phenoxy compounds Methoxybenzenes Anisoles Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Bromobenzenes Alkyl aryl ethers Aryl bromides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenol ether - Phenoxy compound - Anisole - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Aminotoluene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Bromobenzene - Toluene - Halobenzene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Thiadiazole - Heteroaromatic compound - Azacycle - Secondary amine - Ether - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organobromide - 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