Compound Identification
SMILES
COC1=CC(C)=C(C=C1)C1=NN(C=C1C=C1SC(=S)N(CCCCCC(O)=O)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=ZXZQHGMYGDPMJO-UHFFFAOYSA-N
Formula
C27H27N3O4S2
Mass
521.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
-
Subclass
Pyrazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Medium-chain fatty acids Toluenes Alkyl aryl ethers Heterocyclic fatty acids Thiazolidinethiones Cyclic dithiocarbamic acid esters Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Medium-chain fatty acid - Alkyl aryl ether - Heterocyclic fatty acid - Toluene - Monocyclic benzene moiety - Thiazolidinethione - Fatty acyl - Benzenoid - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Thiazolidine - Dithiocarbamic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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