5-(4-Chlorophenoxymethyl)-4H-[1,2,4]triazole-3-thiol

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8ClN3OS
Molecular Weight	241.697
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(4-Chlorophenoxymethyl)-4H-[1,2,4]triazole-3-thiol

Structure Search

SMILES

ClC1=CC=C(OCC2=NC(=S)NN2)C=C1

InChI

InChIKey=OIAHIKHIYQWBHQ-UHFFFAOYSA-N

InChI=1S/C9H8ClN3OS/c10-6-1-3-7(4-2-6)14-5-8-11-9(15)13-12-8/h1-4H,5H2,(H2,11,12,13,15)

HIDE SMILES / InChI

Molecular Formula	C9H8ClN3OS
Molecular Weight	241.697
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 `Tue Apr 01 20:02:56 GMT 2025` Edited by `admin` on `Tue Apr 01 20:02:56 GMT 2025`
Record UNII	TX6ZA2NM7N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-(4-Chlorophenoxymethyl)-4H-[1,2,4]triazole-3-thiol

Systematic Name

English

NSC-625837

Preferred Name

English

3H-1,2,4-Triazole-3-thione, 5-[(4-chlorophenoxy)methyl]-1,2-dihydro-

Systematic Name

English

Code System Code Type Description

CAS

113056-45-4

Created by admin on Tue Apr 01 20:02:56 GMT 2025 , Edited by admin on Tue Apr 01 20:02:56 GMT 2025

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PUBCHEM

1550076

Created by admin on Tue Apr 01 20:02:56 GMT 2025 , Edited by admin on Tue Apr 01 20:02:56 GMT 2025

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FDA UNII

TX6ZA2NM7N

Created by admin on Tue Apr 01 20:02:56 GMT 2025 , Edited by admin on Tue Apr 01 20:02:56 GMT 2025

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EPA CompTox

DTXSID40150275

Created by admin on Tue Apr 01 20:02:56 GMT 2025 , Edited by admin on Tue Apr 01 20:02:56 GMT 2025

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NSC

625837

Created by admin on Tue Apr 01 20:02:56 GMT 2025 , Edited by admin on Tue Apr 01 20:02:56 GMT 2025

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