Compound Identification
SMILES
O=C(CSC1=NN=C(N1C1=CC=CC=C1)C1=CC=CO1)NC1=CC=CC=C1C#N
InChIKey
InChIKey=DDDJJNQJRYHCHO-UHFFFAOYSA-N
Formula
C21H15N5O2S
Mass
401.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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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
Anilides N-arylamides Benzonitriles Alkylarylthioethers Heteroaromatic compounds Furans Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Anilide - Aryl thioether - Benzonitrile - N-arylamide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Carbonitrile - Sulfenyl compound - Thioether - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Cyanide - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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