3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide sulfate, (2R,3R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H14F2N4OS.H2O4S
Molecular Weight	410.417
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide sulfate, (2R,3R)-

Structure Search

SMILES

OS(O)(=O)=O.C[C@@H](C(N)=S)[C@](O)(CN1C=NC=N1)C2=CC(F)=CC=C2F

InChI

InChIKey=XGRIDCNJIYGKHE-CPBFHQHQSA-N

InChI=1S/C13H14F2N4OS.H2O4S/c1-8(12(16)21)13(20,5-19-7-17-6-18-19)10-4-9(14)2-3-11(10)15;1-5(2,3)4/h2-4,6-8,20H,5H2,1H3,(H2,16,21);(H2,1,2,3,4)/t8-,13+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide sulfate, (2R,3R)-

Systematic Name

English

(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide sulfate

Preferred Name

English

1H-1,2,4-Triazole-1-butanethioamide, ?-(2,5-difluorophenyl)-?-hydroxy-?-methyl-, (?R,?R)-, sulfate

Systematic Name

English

Code System Code Type Description

PUBCHEM

53375464

Created by admin on Wed Apr 02 19:13:48 GMT 2025 , Edited by admin on Wed Apr 02 19:13:48 GMT 2025

PRIMARY

FDA UNII

ALM68DA2K4

Created by admin on Wed Apr 02 19:13:48 GMT 2025 , Edited by admin on Wed Apr 02 19:13:48 GMT 2025

PRIMARY

CAS

1286730-01-5

Created by admin on Wed Apr 02 19:13:48 GMT 2025 , Edited by admin on Wed Apr 02 19:13:48 GMT 2025

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PARENT (SALT/SOLVATE)


					DJ2EAK2W8C

3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide, (2R,3R)-

SUBSTANCE RECORD


					ALM68DA2K4

3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide sulfate, (2R,3R)-