Compound Identification
SMILES
COC(=O)C1=C(C)N=C2SC(=CC3=CN(N=C3C3=CC(Br)=C(OC)C=C3)C3=CC=CC=C3)C(=O)N2C1C1=CC=C(SC)C=C1
InChIKey
InChIKey=MLCJRFYYOXAMPK-UHFFFAOYSA-N
Formula
C33H27BrN4O4S2
Mass
687.63
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
Thiophenol ethers Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Thiazoles Methyl esters Enoate esters Heteroaromatic compounds Lactams Isothioureas Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiazole - Heteroaromatic compound - Isothiourea - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Thioether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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