4-(5-HYDROXY-3-OXO-4-(4-(TRIFLUOROMETHOXY)PHENYL)-6-(3-(TRIFLUOROMETHYL)PHENYL)-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-5-YL) BENZONITRILE

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H14F6N4O3
Molecular Weight	520.3834
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(5-HYDROXY-3-OXO-4-(4-(TRIFLUOROMETHOXY)PHENYL)-6-(3-(TRIFLUOROMETHYL)PHENYL)-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-5-YL) BENZONITRILE

Structure Search

SMILES

OC1(N(C(=O)NN=C1C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(OC(F)(F)F)C=C3)C4=CC=C(C=C4)C#N

InChI

InChIKey=WVLWMHZHXMIYJC-UHFFFAOYSA-N

InChI=1S/C24H14F6N4O3/c25-23(26,27)17-3-1-2-15(12-17)20-22(36,16-6-4-14(13-31)5-7-16)34(21(35)33-32-20)18-8-10-19(11-9-18)37-24(28,29)30/h1-12,36H,(H,33,35)

HIDE SMILES / InChI

Molecular Formula	C24H14F6N4O3
Molecular Weight	520.3834
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:45:07 GMT 2025` Edited by `admin` on `Mon Mar 31 22:45:07 GMT 2025`
Record UNII	6B37ZEK0E2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(5-HYDROXY-3-OXO-4-(4-(TRIFLUOROMETHOXY)PHENYL)-6-(3-(TRIFLUOROMETHYL)PHENYL)-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-5-YL) BENZONITRILE

Systematic Name

English

BENZONITRILE, 4-(2,3,4,5-TETRAHYDRO-5-HYDROXY-3-OXO-4-(4-(TRIFLUOROMETHOXY)PHENYL)-6-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-TRIAZIN-5-YL)-

Preferred Name

English

Code System Code Type Description

CAS

915102-00-0

Created by admin on Mon Mar 31 22:45:07 GMT 2025 , Edited by admin on Mon Mar 31 22:45:07 GMT 2025

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EPA CompTox

DTXSID801009396

Created by admin on Mon Mar 31 22:45:07 GMT 2025 , Edited by admin on Mon Mar 31 22:45:07 GMT 2025

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FDA UNII

6B37ZEK0E2

Created by admin on Mon Mar 31 22:45:07 GMT 2025 , Edited by admin on Mon Mar 31 22:45:07 GMT 2025

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PUBCHEM

86278319

Created by admin on Mon Mar 31 22:45:07 GMT 2025 , Edited by admin on Mon Mar 31 22:45:07 GMT 2025

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