3-(HEPTYLTHIO)-1,2,4-TRIAZOLE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H17N3S
Molecular Weight	199.316
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(HEPTYLTHIO)-1,2,4-TRIAZOLE

Structure Search

SMILES

CCCCCCCSC1=NN=CN1

InChI

InChIKey=HYYBYDAYENEBIE-UHFFFAOYSA-N

InChI=1S/C9H17N3S/c1-2-3-4-5-6-7-13-9-10-8-11-12-9/h8H,2-7H2,1H3,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C9H17N3S
Molecular Weight	199.316
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 `Sat Dec 16 12:39:47 GMT 2023` Edited by `admin` on `Sat Dec 16 12:39:47 GMT 2023`
Record UNII	8WTL6TNM1R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(HEPTYLTHIO)-1,2,4-TRIAZOLE

Common Name

English

3-(HEPTYLTHIO)-1H-1,2,4-TRIAZOLE

Systematic Name

English

1H-1,2,4-TRIAZOLE, 5-(HEPTYLTHIO)-

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

277-966-7

Created by admin on Sat Dec 16 12:39:47 GMT 2023 , Edited by admin on Sat Dec 16 12:39:47 GMT 2023

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EPA CompTox

DTXSID60225656

Created by admin on Sat Dec 16 12:39:47 GMT 2023 , Edited by admin on Sat Dec 16 12:39:47 GMT 2023

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PUBCHEM

2818234

Created by admin on Sat Dec 16 12:39:47 GMT 2023 , Edited by admin on Sat Dec 16 12:39:47 GMT 2023

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CAS

74682-50-1

Created by admin on Sat Dec 16 12:39:47 GMT 2023 , Edited by admin on Sat Dec 16 12:39:47 GMT 2023

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FDA UNII

8WTL6TNM1R

Created by admin on Sat Dec 16 12:39:47 GMT 2023 , Edited by admin on Sat Dec 16 12:39:47 GMT 2023

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