2-((4-((2-CYANOETHYL)(2-((4-(DIBUTYLAMINO)-6-FLUORO-1,3,5-TRIAZIN-2-YL)OXY)ETHYL)AMINO)PHENYL)AZO)-5-(PHENYLAZO)THIOPHENE-3-CARBONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H36FN11OS
Molecular Weight	653.775
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 2-((4-((2-CYANOETHYL)(2-((4-(DIBUTYLAMINO)-6-FLUORO-1,3,5-TRIAZIN-2-YL)OXY)ETHYL)AMINO)PHENYL)AZO)-5-(PHENYLAZO)THIOPHENE-3-CARBONITRILE

Structure Search

SMILES

CCCCN(CCCC)C1=NC(F)=NC(OCCN(CCC#N)C2=CC=C(C=C2)\N=N\C3=C(C=C(S3)\N=N\C4=CC=CC=C4)C#N)=N1

InChI

InChIKey=VJGMBVBSKSYWOW-IZRQRQPJSA-N

InChI=1S/C33H36FN11OS/c1-3-5-18-45(19-6-4-2)32-37-31(34)38-33(39-32)46-22-21-44(20-10-17-35)28-15-13-27(14-16-28)41-43-30-25(24-36)23-29(47-30)42-40-26-11-8-7-9-12-26/h7-9,11-16,23H,3-6,10,18-22H2,1-2H3/b42-40+,43-41+

HIDE SMILES / InChI

Molecular Formula	C33H36FN11OS
Molecular Weight	653.775
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:21:11 GMT 2023` Edited by `admin` on `Sat Dec 16 12:21:11 GMT 2023`
Record UNII	RJG5A6NW5Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((4-((2-CYANOETHYL)(2-((4-(DIBUTYLAMINO)-6-FLUORO-1,3,5-TRIAZIN-2-YL)OXY)ETHYL)AMINO)PHENYL)AZO)-5-(PHENYLAZO)THIOPHENE-3-CARBONITRILE

Systematic Name

English

3-THIOPHENECARBONITRILE, 2-(2-(4-((2-CYANOETHYL)(2-((4-(DIBUTYLAMINO)-6-FLUORO-1,3,5-TRIAZIN-2-YL)OXY)ETHYL)AMINO)PHENYL)DIAZENYL)-5-(2-PHENYLDIAZENYL)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

303-322-2