Compound Identification
SMILES
CC[NH+](CC)C1=CC([O-])=C(C=NNC(=O)CSC2=NN=C(N2C2=CC=C(C)C=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=JIIUQNQCSAFOFJ-UHFFFAOYSA-N
Formula
C28H30N6O2S
Mass
514.65
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
Phenylalkylamines Aniline and substituted anilines Toluenes Phenoxides Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Aryl thioether - Phenylalkylamine - Aniline or substituted anilines - Phenoxide - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Thioether - Azacycle - Sulfenyl compound - Amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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