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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17F2N3O3
Molecular Weight 337.3213
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methyl acetate, [(3S,5R)-

SMILES

CC(=O)OC[C@@H]1CO[C@](CN2C=NC=N2)(C1)C3=C(F)C=C(F)C=C3

InChI

InChIKey=CKBCNZFBAWTMQS-WBMJQRKESA-N
InChI=1S/C16H17F2N3O3/c1-11(22)23-6-12-5-16(24-7-12,8-21-10-19-9-20-21)14-3-2-13(17)4-15(14)18/h2-4,9-10,12H,5-8H2,1H3/t12-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H17F2N3O3
Molecular Weight 337.3213
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:51:25 GMT 2023
Edited
by admin
on Sat Dec 16 19:51:25 GMT 2023
Record UNII
AVJ97T7BDS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methyl acetate, [(3S,5R)-
Common Name English
[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methyl acetate
Systematic Name English
3-Furanmethanol, 5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-, acetate (ester), (3S-cis)-
Systematic Name English
Code System Code Type Description
FDA UNII
AVJ97T7BDS
Created by admin on Sat Dec 16 19:51:25 GMT 2023 , Edited by admin on Sat Dec 16 19:51:25 GMT 2023
PRIMARY
CAS
169266-10-8
Created by admin on Sat Dec 16 19:51:25 GMT 2023 , Edited by admin on Sat Dec 16 19:51:25 GMT 2023
PRIMARY