U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C13H9Cl2F3N4OS
Molecular Weight 397.203
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHIPROLE

SMILES

CC[S+]([O-])C1=C(N)N(N=C1C#N)C2=C(Cl)C=C(C=C2Cl)C(F)(F)F

InChI

InChIKey=FNELVJVBIYMIMC-UHFFFAOYSA-N
InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H9Cl2F3N4OS
Molecular Weight 397.203
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
5527E53JNB
Record Status Validated (UNII)
Record Version