Compound Identification
SMILES
CC1CN(CCN1C(=O)C1=CC=CC=C1Br)C(=O)CCCSC1=NN=C(N1C1=CC=C(C)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=HAMQTIDYQHKULA-UHFFFAOYSA-N
Formula
C31H32BrN5O2S
Mass
618.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Toluenes Alkylarylthioethers Bromobenzenes Aryl bromides Piperazines Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous halides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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