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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13FN2O2S
Molecular Weight 280.318
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PXS-5505

SMILES

NC\C=C(/F)CS(=O)(=O)C1=C2N=CC=CC2=CC=C1

InChI

InChIKey=DHXXLGDTPFPYRH-WDZFZDKYSA-N
InChI=1S/C13H13FN2O2S/c14-11(6-7-15)9-19(17,18)12-5-1-3-10-4-2-8-16-13(10)12/h1-6,8H,7,9,15H2/b11-6-

HIDE SMILES / InChI

Molecular Formula C13H13FN2O2S
Molecular Weight 280.318
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
DO94E28WYW
Record Status Validated (UNII)
Record Version