Compound Identification
SMILES
CC1=CC=C(NCC(=O)N2N=C(C=C2C2=CC=CC=C2)C2=CC=C(S2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=YXOURLSOBVMKNU-UHFFFAOYSA-N
Formula
C22H18N4O3S
Mass
418.47
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
Alpha amino acids and derivatives 2-nitrothiophenes Aminotoluenes Aniline and substituted anilines Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines 2,5-disubstituted thiophenes Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Alpha-amino acid or derivatives - Nitrothiophene - 2-nitrothiophene - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Toluene - 2,5-disubstituted thiophene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Organic oxoazanium - Azacycle - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic 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