3-Chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzenecarbothioamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H13ClF3N5O3S
Molecular Weight	459.83
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzenecarbothioamide

Structure Search

SMILES

CN1C(=O)NN=C1CN2C=CC(=C(OC3=CC(=CC(Cl)=C3)C(N)=S)C2=O)C(F)(F)F

InChI

InChIKey=QDTVMHNLXDYMKT-UHFFFAOYSA-N

InChI=1S/C17H13ClF3N5O3S/c1-25-12(23-24-16(25)28)7-26-3-2-11(17(19,20)21)13(15(26)27)29-10-5-8(14(22)30)4-9(18)6-10/h2-6H,7H2,1H3,(H2,22,30)(H,24,28)

HIDE SMILES / InChI

Molecular Formula	C17H13ClF3N5O3S
Molecular Weight	459.83
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:45:07 GMT 2025` Edited by `admin` on `Wed Apr 02 17:45:07 GMT 2025`
Record UNII	5XGN5PGR8E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzenecarbothioamide

Systematic Name

English

DORAVIRINE IMPURITY B

Preferred Name

English

Benzenecarbothioamide, 3-chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-

Systematic Name

English

Code System Code Type Description

FDA UNII

5XGN5PGR8E

Created by admin on Wed Apr 02 17:45:07 GMT 2025 , Edited by admin on Wed Apr 02 17:45:07 GMT 2025

PRIMARY

CAS

2054541-29-4

Created by admin on Wed Apr 02 17:45:07 GMT 2025 , Edited by admin on Wed Apr 02 17:45:07 GMT 2025

PRIMARY

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