3-(BENZYLTHIO)-6,6-DIMETHYL-1,6-DIHYDRO-1,2,4-TRIAZIN-5(2H)-ONE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15N3OS
Molecular Weight	249.332
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(BENZYLTHIO)-6,6-DIMETHYL-1,6-DIHYDRO-1,2,4-TRIAZIN-5(2H)-ONE

Structure Search

SMILES

CC1(C)NNC(SCC2=CC=CC=C2)=NC1=O

InChI

InChIKey=LKCYDITVYNZTTR-UHFFFAOYSA-N

InChI=1S/C12H15N3OS/c1-12(2)10(16)13-11(14-15-12)17-8-9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3,(H,13,14,16)

HIDE SMILES / InChI

Molecular Formula	C12H15N3OS
Molecular Weight	249.332
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 20:11:16 GMT 2025` Edited by `admin` on `Tue Apr 01 20:11:16 GMT 2025`
Record UNII	S0B0DN77O5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-286711

Preferred Name

English

3-(BENZYLTHIO)-6,6-DIMETHYL-1,6-DIHYDRO-1,2,4-TRIAZIN-5(2H)-ONE

Systematic Name

English

1,2,4-TRIAZIN-5(2H)-ONE, 1,6-DIHYDRO-6,6-DIMETHYL-3-((PHENYLMETHYL)THIO)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

135429881

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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CAS

59153-10-5

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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FDA UNII

S0B0DN77O5

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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NSC

286711

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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EPA CompTox

DTXSID50207885

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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