Compound Identification
SMILES
CC1=CC=C(NC(=O)CN2C(=O)C(=C3SC4=NC(=NN4C3=O)C3=CC=C(C=C3)C(C)(C)C)C3=CC=CC=C23)C=C1
InChIKey
InChIKey=KIGVZXHGWXBVCI-UHFFFAOYSA-N
Formula
C31H27N5O3S
Mass
549.65
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
Alpha amino acids and derivatives Anilides Indoles and derivatives Phenylpropanes Triazolothiazoles N-arylamides Toluenes Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Alpha-amino acid or derivatives - Indole or derivatives - Phenylpropane - Anilide - N-arylamide - Triazolothiazole - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen 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