Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N2C(SC(=CC3=CN(N=C3C3=CC(Br)=C(OC)C=C3)C3=CC=CC=C3)C2=O)=NC(C)=C1C(=O)OC(C)C
InChIKey
InChIKey=PXZUCBQGCTXIDQ-UHFFFAOYSA-N
Formula
C36H31BrN4O6S
Mass
727.63
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
Benzoic acid esters Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazoles Methyl esters Heteroaromatic compounds Enoate esters Lactams Isothioureas Azacyclic compounds Monocarboxylic acids and derivatives Organobromides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiazole - Lactam - Isothiourea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organobromide - Hydrocarbon derivative - Organohalogen 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