Compound Identification
SMILES
O=S1(=O)CC[C@H](C1)N1CC[NH+](CN2N=C(N(C2=S)C2=CC=CC=C2)C2=CC=CS2)CC1
InChIKey
InChIKey=HVKYOHYGXMBQJF-GOSISDBHSA-O
Formula
C21H26N5O2S3
Mass
476.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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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
N-alkylpiperazines Benzene and substituted derivatives Thiophenes Thiolanes Sulfones Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Quaternary ammonium salt - Sulfone - Thiolane - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - 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