Compound Identification
SMILES
O=C(N1C=C2SCC3=CC=CC=C3C2=N1)C1=CC=CC=C1
InChIKey
InChIKey=KFPPTODMSZHOCQ-UHFFFAOYSA-N
Formula
C17H12N2OS
Mass
292.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
Benzoic acids and derivatives 2-benzothiopyrans Alkylarylthioethers Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzoylpyrazole - Benzoic acid or derivatives - Benzothiopyran - 2-benzothiopyran - Aryl thioether - Alkylarylthioether - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - 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