Compound Identification
SMILES
CN1C(SCC(=O)NN=CC2=CC=C(S2)[N+]([O-])=O)=NN=C1C1=CC(Cl)=CC=C1
InChIKey
InChIKey=WRIGIFMFXVPVKU-UHFFFAOYSA-N
Formula
C16H13ClN6O3S2
Mass
436.89
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
2-nitrothiophenes Nitroaromatic compounds 2,5-disubstituted thiophenes Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrothiophene - 2-nitrothiophene - Aryl thioether - Nitroaromatic compound - 2,5-disubstituted thiophene - Alkylarylthioether - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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