Compound Identification
SMILES
CC1=CC=CC(=C1)C1=NN2C(SC3C(N(N=C23)C2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C2=CC=C(Cl)C=C2)=N1
InChIKey
InChIKey=ANYRDXQDUFEVAM-UHFFFAOYSA-N
Formula
C24H16ClN7O4S
Mass
533.95
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
Nitrobenzenes Nitroaromatic compounds Alkylarylthioethers Chlorobenzenes Toluenes Aryl chlorides Imidolactams Pyrazolines Heteroaromatic compounds Amidrazones Organic oxoazanium compounds Hydrazones Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrazoline - Organic nitro compound - Carboxylic acid amidrazone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Thioether - Organic 1,3-dipolar compound - Hydrazone - Organic oxoazanium - Organic zwitterion - Organic oxide - Organohalogen compound - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic 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