Compound Identification
SMILES
CC1CN(CCN1C(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)CSC1=NN=C(N1C1=CC=C(C)C=C1)C1=CC=CO1
InChIKey
InChIKey=KRTVSGYFMGOBGO-UHFFFAOYSA-N
Formula
C27H26N6O5S
Mass
546.6
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
Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Toluenes Alkylarylthioethers Piperazines Tertiary carboxylic acid amides Furans Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Toluene - Alkylarylthioether - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxygen compound - Organic oxide - 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