Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(SCC(=O)NN=CC=CC2=CC=CC=C2[N+]([O-])=O)=NN=C1C1=CC=C(C=C1)C(C)(C)C
InChIKey
InChIKey=RLCNGZAVISYBBC-UHFFFAOYSA-N
Formula
C30H30N6O3S
Mass
554.67
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
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
Phenylpropanes Nitrobenzenes Styrenes Nitroaromatic compounds Toluenes Alkylarylthioethers Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organic salts Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenylpropane - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Styrene - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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