4H-1,2,4-Triazolium, 1-[(2S,3S)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C35H35F2N8O5S
Molecular Weight	717.765
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of 4H-1,2,4-Triazolium, 1-[(2S,3S)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-

Structure Search

SMILES

CNCC(=O)OCC1=CC=CN=C1N(C)C(=O)OC(C)[N+]2=CN(C[C@](O)([C@H](C)C3=NC(=CS3)C4=CC=C(C=C4)C#N)C5=C(F)C=CC(F)=C5)N=C2

InChI

InChIKey=RSWOJTICKMKTER-QLNOICANSA-N

InChI=1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H35F2N8O5S
Molecular Weight	717.765
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:01:17 GMT 2025` Edited by `admin` on `Wed Apr 02 21:01:17 GMT 2025`
Record UNII	T47MCR9SSM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4H-1,2,4-Triazolium, 1-[(2S,3S)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-

Preferred Name

English

Code System Code Type Description

CAS

3023450-17-8

Created by admin on Wed Apr 02 21:01:17 GMT 2025 , Edited by admin on Wed Apr 02 21:01:17 GMT 2025

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PUBCHEM

129011696

Created by admin on Wed Apr 02 21:01:17 GMT 2025 , Edited by admin on Wed Apr 02 21:01:17 GMT 2025

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FDA UNII

T47MCR9SSM

Created by admin on Wed Apr 02 21:01:17 GMT 2025 , Edited by admin on Wed Apr 02 21:01:17 GMT 2025

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