Compound Identification
SMILES
CC1=NN(C(=O)C2=CC=CC=C2Cl)C(C)=C1SC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QTUPNVBBPQDHLS-UHFFFAOYSA-N
Formula
C18H14ClN3O3S
Mass
387.84
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
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Level 5
Benzoylpyrazoles
- Level 6 N-benzoylpyrazoles
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Level 5
Benzoylpyrazoles
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Benzoylpyrazoles
Direct Parent
N-benzoylpyrazoles
Alternative Parents
Diarylthioethers 2-halobenzoic acids and derivatives Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous halides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpyrazole - Diarylthioether - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - Pyrazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organochloride - Organic oxide - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzoylpyrazoles. These are aromatic heterocyclic compounds containing a pyrazole ring that is N-substituted at the 1-position by a benzoyl group.
External Descriptors
Not available