Compound Identification
SMILES
COC1=C(OC)C=C(C(=C1)C(=O)NC1=C2CSCC2=NN1C1=CC=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=DBQWDRWVFDAFDL-UHFFFAOYSA-N
Formula
C20H17ClN4O5S
Mass
460.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Nitrophenyl ethers Dimethoxybenzenes Benzamides Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Nitroaromatic compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Organic oxoazanium compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Phenylpyrazole - O-dimethoxybenzene - Dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxide - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available