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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14FN3
Molecular Weight 267.3009
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(O-ETHYLPHENYL)-5-(M-FLUOROPHENYL)-S-TRIAZOLE

SMILES

CCC1=CC=CC=C1C2=NN=C(N2)C3=CC=CC(F)=C3

InChI

InChIKey=ANIGOOQXMDHYSN-UHFFFAOYSA-N
InChI=1S/C16H14FN3/c1-2-11-6-3-4-9-14(11)16-18-15(19-20-16)12-7-5-8-13(17)10-12/h3-10H,2H2,1H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C16H14FN3
Molecular Weight 267.3009
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 08:09:14 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:14 GMT 2023
Record UNII
2L3RDS5360
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(O-ETHYLPHENYL)-5-(M-FLUOROPHENYL)-S-TRIAZOLE
Common Name English
1H-1,2,4-TRIAZOLE, 5-(2-ETHYLPHENYL)-3-(3-FLUOROPHENYL)-
Systematic Name English
S-TRIAZOLE, 3-(O-ETHYLPHENYL)-5-(M-FLUOROPHENYL)-
Common Name English
1H-1,2,4-TRIAZOLE, 3-(2-ETHYLPHENYL)-5-(3-FLUOROPHENYL)
Systematic Name English
Code System Code Type Description
PUBCHEM
135352
Created by admin on Sat Dec 16 08:09:14 GMT 2023 , Edited by admin on Sat Dec 16 08:09:14 GMT 2023
PRIMARY
FDA UNII
2L3RDS5360
Created by admin on Sat Dec 16 08:09:14 GMT 2023 , Edited by admin on Sat Dec 16 08:09:14 GMT 2023
PRIMARY
CAS
85303-83-9
Created by admin on Sat Dec 16 08:09:14 GMT 2023 , Edited by admin on Sat Dec 16 08:09:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID40234509
Created by admin on Sat Dec 16 08:09:14 GMT 2023 , Edited by admin on Sat Dec 16 08:09:14 GMT 2023
PRIMARY