Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2C)C(Br)=CC(C=NNC(=O)C2=C(N=NN2C2=NON=C2N)C2=CC=CC=C2)=C1
InChIKey
InChIKey=TXQOQZSKRUOQGX-UHFFFAOYSA-N
Formula
C27H23BrN8O4
Mass
603.437
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,3-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-1,2,3-triazoles
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Bromobenzenes Primary aromatic amines Aryl bromides Imidolactams Heteroaromatic compounds Furazans Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,3-triazole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Imidolactam - Benzenoid - Primary aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Oxadiazole - Furazan - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.
External Descriptors
Not available