Compound Identification
SMILES
BrC1=CC2=C(C=C1)N(CC1=NNC(=S)N1C1=CC=CC3=CC=CC=C13)C=C2
InChIKey
InChIKey=VYFKAJVVMPYTCF-UHFFFAOYSA-N
Formula
C21H15BrN4S
Mass
435.34
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
-
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
Naphthalenes N-alkylindoles Indoles Substituted pyrroles Aryl bromides Triazolines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - N-alkylindole - Naphthalene - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Triazoline - Heteroaromatic compound - Pyrrole - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur 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