Compound Identification
SMILES
COC1=CC=C(C=C1)C1SC(N)=NC2=C1C(C)=NN2C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=BIKVKSCSIMJKAW-UHFFFAOYSA-N
Formula
C20H17ClN4O2S
Mass
412.89
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes 1,3-thiazines Aryl chlorides Pyrazoles Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzoylpyrazole - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Meta-thiazine - Heteroaromatic compound - Azole - Pyrazole - Isothiourea - Azacycle - Ether - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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