3-(2,4-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide, (2R,3R)-

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)-

Structure Search

SMILES

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

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 `Wed Apr 02 17:45:44 GMT 2025` Edited by `admin` on `Wed Apr 02 17:45:44 GMT 2025`
Record UNII	P5M8PT27WB
Record Status	`Validated (UNII)`
Record Version

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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

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

Preferred Name

English

(?R,?R)-?-(2,4-Difluorophenyl)-?-hydroxy-?-methyl-1H-1,2,4-triazole-1-butanethioamide

Systematic Name

English

1H-1,2,4-Triazole-1-butanethioamide, ?-(2,4-difluorophenyl)-?-hydroxy-?-methyl-, [R-(R*,R*)]-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

P5M8PT27WB

Created by admin on Wed Apr 02 17:45:44 GMT 2025 , Edited by admin on Wed Apr 02 17:45:44 GMT 2025

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EPA CompTox

DTXSID50443549

Created by admin on Wed Apr 02 17:45:44 GMT 2025 , Edited by admin on Wed Apr 02 17:45:44 GMT 2025

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PUBCHEM

10686541

Created by admin on Wed Apr 02 17:45:44 GMT 2025 , Edited by admin on Wed Apr 02 17:45:44 GMT 2025

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CAS

170863-34-0

Created by admin on Wed Apr 02 17:45:44 GMT 2025 , Edited by admin on Wed Apr 02 17:45:44 GMT 2025

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