XCT-790

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H13F9N4O3S
Molecular Weight	596.425
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)C=CC(\C=C(/C#N)C(=O)NC3=NN=C(S3)C(F)(F)F)=C1

InChI

InChIKey=HQFNFOOGGLSBBT-AWNIVKPZSA-N

InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+

HIDE SMILES / InChI

Molecular Formula	C23H13F9N4O3S
Molecular Weight	596.425
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:06:06 GMT 2023` Edited by `admin` on `Sat Dec 16 18:06:06 GMT 2023`
Record UNII	A4CE428LGJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XCT-790

Common Name

English

2-Propenamide, 3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-, (2E)-

Systematic Name

English

3-(4-((2,4-BIS(TRIFLUOROMETHYL)BENZYL)OXY)-3-METHOXYPHENYL)-2-CYANO-N-(5-TRIFLUOROMETHYL-(1,3,4)THIADIAZOL-2-YL)ACRYLAMIDE

Systematic Name

English

2-PROPENAMIDE, 3-(4-((2,4-BIS(TRIFLUOROMETHYL)PHENYL)METHOXY)-3-METHOXYPHENYL)-2-CYANO-N-(5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL)-

Systematic Name

English

(2E)-3-[4-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

Systematic Name

English

3-(4-((2,4-BIS(TRIFLUOROMETHYL)PHENYL)METHOXY)-3-METHOXYPHENYL)-2-CYANO-N-(5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL)-2-PROPENAMIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40426088