U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N3O.ClH
Molecular Weight 341.835
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(M-(ALLYLOXY)PHENYL)-3-(O-ETHYLPHENYL)-S-TRIAZOLE, MONOHYDROCHLORIDE

SMILES

Cl.CCC1=CC=CC=C1C2=NN=C(N2)C3=CC(OCC=C)=CC=C3

InChI

InChIKey=NMAYFCHAZXEASR-UHFFFAOYSA-N
InChI=1S/C19H19N3O.ClH/c1-3-12-23-16-10-7-9-15(13-16)18-20-19(22-21-18)17-11-6-5-8-14(17)4-2;/h3,5-11,13H,1,4,12H2,2H3,(H,20,21,22);1H

HIDE SMILES / InChI

Molecular Formula C19H19N3O
Molecular Weight 305.3737
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:15 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:15 GMT 2023
Record UNII
28036BO0AS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(M-(ALLYLOXY)PHENYL)-3-(O-ETHYLPHENYL)-S-TRIAZOLE, MONOHYDROCHLORIDE
Common Name English
S-TRIAZOLE, 5-(M-(ALLYLOXY)PHENYL)-3-(O-ETHYLPHENYL)-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
28036BO0AS
Created by admin on Sat Dec 16 08:09:15 GMT 2023 , Edited by admin on Sat Dec 16 08:09:15 GMT 2023
PRIMARY
CAS
85681-50-1
Created by admin on Sat Dec 16 08:09:15 GMT 2023 , Edited by admin on Sat Dec 16 08:09:15 GMT 2023
PRIMARY
PUBCHEM
135363
Created by admin on Sat Dec 16 08:09:15 GMT 2023 , Edited by admin on Sat Dec 16 08:09:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID60234960
Created by admin on Sat Dec 16 08:09:15 GMT 2023 , Edited by admin on Sat Dec 16 08:09:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE