Compound Identification
SMILES
OC(=O)CCSC(CCC1=CC=CC=C1C1=NC=NN1)C1=CC(OCC2=NC3=C(C=CC(Cl)=C3)C=C2)=CC=C1
InChIKey
InChIKey=NAVMHFVFGUAGPV-UHFFFAOYSA-N
Formula
C30H27ClN4O3S
Mass
559.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Phenyl-1,2,4-triazoles Chloroquinolines Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Phenyltriazole - Phenyl-1,2,4-triazole - Chloroquinoline - Haloquinoline - Quinoline - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available