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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14F2N4OS
Molecular Weight 312.338
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2,4-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide, (2R,3R)-

SMILES

C[C@@H](C(N)=S)[C@](O)(CN1C=NC=N1)C2=C(F)C=C(F)C=C2

InChI

InChIKey=LZFBOQOMPIKJBI-ISVAXAHUSA-N
InChI=1S/C13H14F2N4OS/c1-8(12(16)21)13(20,5-19-7-17-6-18-19)10-3-2-9(14)4-11(10)15/h2-4,6-8,20H,5H2,1H3,(H2,16,21)/t8-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H14F2N4OS
Molecular Weight 312.338
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 19:55:43 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:43 GMT 2023
Record UNII
P5M8PT27WB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2,4-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide, (2R,3R)-
Systematic Name English
(αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanethioamide
Systematic Name English
1H-1,2,4-Triazole-1-butanethioamide, β-(2,4-difluorophenyl)-β-hydroxy-α-methyl-, [R-(R*,R*)]-
Systematic Name English
(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide
Systematic Name English
1H-1,2,4-Triazole-1-butanethioamide, β-(2,4-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βR)-
Systematic Name English
Code System Code Type Description
FDA UNII
P5M8PT27WB
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
PUBCHEM
10686541
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
CAS
170863-34-0
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY