Compound Identification
SMILES
COC1=C([O-])C=CC(=C1)C(C)=NNC(=O)CSC1=NNC(C2=CC=C(Cl)C=C2)=[N+]1C1CCCCC1
InChIKey
InChIKey=NUFBCTYQWSQAMX-UHFFFAOYSA-N
Formula
C25H28ClN5O3S
Mass
514.04
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
Phenoxy compounds Anisoles Methoxybenzenes Phenoxides Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Phenoxide - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organic zwitterion - Organochloride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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