Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NN2C(SC(=CC3=CC(Br)=CC=C3)C2=O)=N1
InChIKey
InChIKey=INQJDOYLFNUMOR-UHFFFAOYSA-N
Formula
C19H14BrN3O3S
Mass
444.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
-
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
Dimethoxybenzenes Triazolothiazoles Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Triazolothiazole - Phenoxy compound - Methoxybenzene - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Lactam - Ether - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen 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