Compound Identification
SMILES
CC1=CC(C(=O)CSC2=NNC(=N2)C2=CC=C(Br)C=C2)=C(C)N1CC1CCCO1
InChIKey
InChIKey=TVXUUYCAIUDQOE-UHFFFAOYSA-N
Formula
C21H23BrN4O2S
Mass
475.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
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
Aryl alkyl ketones Alkylarylthioethers Bromobenzenes Substituted pyrroles Aryl bromides Vinylogous amides Oxolanes Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Aldehydes Organopnictogen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Vinylogous amide - Heteroaromatic compound - Pyrrole - Oxolane - Ketone - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Dialkyl ether - Ether - Organic oxide - Organobromide - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aldehyde - Aromatic heteromonocyclic 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