Compound Identification
SMILES
O=C1NCCN1C1=NN=C(COC2=CC=CC=C2)S1
InChIKey
InChIKey=BNDPNSLRDVBOEV-UHFFFAOYSA-N
Formula
C12H12N4O2S
Mass
276.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Thiadiazoles
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Level 5
Aminothiadiazoles
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Level 6
2-amino-1,3,4-thiadiazoles
- Level 7 1,3,4-thiadiazol-2-ylureas
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Level 6
2-amino-1,3,4-thiadiazoles
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Level 5
Aminothiadiazoles
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Subclass
Thiadiazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiadiazoles
Intermediate Tree Nodes
Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles
Direct Parent
1,3,4-thiadiazol-2-ylureas
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Imidazolidinones Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,3,4-thiadiazol-2-ylurea - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Imidazolidine - Heteroaromatic compound - Urea - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3,4-thiadiazol-2-ylureas. These are aromatic compounds containing a 1,3,4-thiadiazole ring, which is substituted at the 2-position with urea.
External Descriptors
Not available