BENCARBAZONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H13F4N5O3S2
Molecular Weight	427.398
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENCARBAZONE

Structure Search

SMILES

CCS(=O)(=O)NC1=C(C=C(F)C(=C1)N2N=C(N(C)C2=O)C(F)(F)F)C(N)=S

InChI

InChIKey=LVKBXDHACCFCTA-UHFFFAOYSA-N

InChI=1S/C13H13F4N5O3S2/c1-3-27(24,25)20-8-5-9(7(14)4-6(8)10(18)26)22-12(23)21(2)11(19-22)13(15,16)17/h4-5,20H,3H2,1-2H3,(H2,18,26)

HIDE SMILES / InChI

Molecular Formula	C13H13F4N5O3S2
Molecular Weight	427.398
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:32:28 GMT 2025` Edited by `admin` on `Mon Mar 31 19:32:28 GMT 2025`
Record UNII	1L6YBH3E98
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENCARBAZONE

Common Name

English

HWH-4991

Preferred Name

English

BENZENECARBOTHIOAMIDE, 4-(4,5-DIHYDRO-4-METHYL-5-OXO-3-(TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOL-1-YL)-2-((ETHYLSULFONYL)AMINO)-5-FLUORO-

Systematic Name

English

2-(2-FLUORO-4-(AMINOTHIOCARBONYL)-5-((ETHYLSULFONYL)AMINO)PHENYL)-4-METHYL-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Systematic Name

English

BENCARBAZONE [ISO]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

326350

Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025

Code System Code Type Description

ALANWOOD

bencarbazone

Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025

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CAS

173980-17-1

Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025

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PUBCHEM

11037341

Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025

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EPA CompTox

DTXSID2057998

Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025

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CHEBI

145865

Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025

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FDA UNII

1L6YBH3E98

Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025

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