Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1C(SCC(=O)NN=CC2=C([O-])C=C(C=C2)[NH+](CC)CC)=NN=C1C1=CC=CC=C1
InChIKey
InChIKey=HYVOTSMPVWTBRV-UHFFFAOYSA-N
Formula
C29H32N6O3S
Mass
544.67
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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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
Phenylalkylamines Phenoxy compounds Phenol ethers Aniline and substituted anilines Phenoxides Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenoxy compound - Aryl thioether - Phenol ether - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Phenoxide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Ether - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - 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