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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21F2N3O4S
Molecular Weight 449.471
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CO[C@](CN3C=NN=C3)(C2)C4=C(F)C=C(F)C=C4

InChI

InChIKey=WBLLLHKCRLULTK-KKSFZXQISA-N
InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-13-24-25-14-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-4-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate
Preferred Name English
Code System Code Type Description
FDA UNII
9S35535WCU
Created by admin on Wed Apr 02 19:13:44 GMT 2025 , Edited by admin on Wed Apr 02 19:13:44 GMT 2025
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PUBCHEM
129011663
Created by admin on Wed Apr 02 19:13:44 GMT 2025 , Edited by admin on Wed Apr 02 19:13:44 GMT 2025
PRIMARY