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=C(C=CC=C1)C2=NN=C(N2)C3=CC=CC(OCC=C)=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

Approval Year

Unknown
149124
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
Preferred Name English
Code System Code Type Description
FDA UNII
28036BO0AS
Created by admin on Mon Mar 31 21:54:41 GMT 2025 , Edited by admin on Mon Mar 31 21:54:41 GMT 2025
PRIMARY
CAS
85681-50-1
Created by admin on Mon Mar 31 21:54:41 GMT 2025 , Edited by admin on Mon Mar 31 21:54:41 GMT 2025
PRIMARY
PUBCHEM
135363
Created by admin on Mon Mar 31 21:54:41 GMT 2025 , Edited by admin on Mon Mar 31 21:54:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID60234960
Created by admin on Mon Mar 31 21:54:41 GMT 2025 , Edited by admin on Mon Mar 31 21:54:41 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966