Compound Identification
SMILES
CC1=NN(C(=O)C2=CC=C(Cl)C=C2)C2=C1C(SC(N)=N2)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=QBZPGNXXOLBQBP-UHFFFAOYSA-N
Formula
C19H14ClN5O3S
Mass
427.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoyl derivatives
-
Level 5
Benzoylpyrazoles
- Level 6 N-benzoylpyrazoles
-
Level 5
Benzoylpyrazoles
-
Subclass
Benzoyl derivatives
-
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
4-halobenzoic acids and derivatives Nitrobenzenes Nitroaromatic compounds Chlorobenzenes 1,3-thiazines Aryl chlorides Heteroaromatic compounds Pyrazoles Isothioureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzoylpyrazole - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Meta-thiazine - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Organic nitro compound - Isothiourea - C-nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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