R-102557

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H29F6N3O4S
Molecular Weight	629.614
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](S[C@H]1CO[C@@H](OC1)\C=C\C=C\C2=CC=C(OCC(F)(F)C(F)F)C=C2)[C@](O)(CN3C=NC=N3)C4=CC=C(F)C=C4F

InChI

InChIKey=CLINAPYUTVBIPZ-PLIXZCSPSA-N

InChI=1S/C29H29F6N3O4S/c1-19(28(39,15-38-18-36-17-37-38)24-11-8-21(30)12-25(24)31)43-23-13-40-26(41-14-23)5-3-2-4-20-6-9-22(10-7-20)42-16-29(34,35)27(32)33/h2-12,17-19,23,26-27,39H,13-16H2,1H3/b4-2+,5-3+/t19-,23-,26-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H29F6N3O4S
Molecular Weight	629.614
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:31:12 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:12 GMT 2025`
Record UNII	PN3ANL99HW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-R-102557

Preferred Name

English

R-102557

Code

English

R102557

Code

English

1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-.ALPHA.-(1-((2-(4-(4-(2,2,3,3-TETRAFLUOROPROPOXY)PHENYL)-1,3-BUTADIENYL)-1,3-DIOXAN-5-YL)THIO)ETHYL)-, (.ALPHA.R-(.ALPHA.R*(R*(TRANS(1E,3E)))))-

Systematic Name

English

1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-.ALPHA.-((1R)-1-((TRANS-2-((1E,3E)-4-(4-(2,2,3,3-TETRAFLUOROPROPOXY)PHENYL)-1,3-BUTADIENYL)-1,3-DIOXAN-5-YL)THIO)ETHYL)-, (.ALPHA.R)-

Systematic Name

English

(.ALPHA.R)-.ALPHA.-(2,4-DIFLUOROPHENYL)-.ALPHA.-((1R)-1-((TRANS-2-((1E,3E)-4-(4-(2,2,3,3-TETRAFLUOROPROPOXY)PHENYL)-1,3-BUTADIEN-1-YL)-1,3-DIOXAN-5-YL)THIO)ETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL

Systematic Name

English

1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-.ALPHA.-((1R)-1-((TRANS-2-((1E,3E)-4-(4-(2,2,3,3-TETRAFLUOROPROPOXY)PHENYL)-1,3-BUTADIEN-1-YL)-1,3-DIOXAN-5-YL)THIO)ETHYL)-, (.ALPHA.R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

PN3ANL99HW

Created by admin on Mon Mar 31 22:31:12 GMT 2025 , Edited by admin on Mon Mar 31 22:31:12 GMT 2025

PRIMARY

CAS

183800-35-3

Created by admin on Mon Mar 31 22:31:12 GMT 2025 , Edited by admin on Mon Mar 31 22:31:12 GMT 2025

PRIMARY

Related Record Type Details


					PN3ANL99HW

R-102557

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