Compound Identification
SMILES
CCCCCCCCCCCC1=NN=C(SCC(=O)NN=CC2=CC(OC(=O)C3=C(Cl)C4=CC=CC=C4S3)=CC=C2)N1C1=CC=CC=C1
InChIKey
InChIKey=KQOYLSAGXZITBD-UHFFFAOYSA-N
Formula
C37H40ClN5O3S2
Mass
702.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
-
Level 5
Phenyltriazoles
-
Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Phenol esters 1-benzothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Alkylarylthioethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenol ester - 1-benzothiophene - Benzothiophene - Phenoxy compound - Aryl thioether - Thiophene carboxylic acid or derivatives - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid ester - Thioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available