U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13N3OS2
Molecular Weight 279.381
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(3-METHYL-5-((PHENYLMETHYL)THIO)-1,3,4-THIADIAZOL-2(3H)-YLIDENE)ACETAMIDE

SMILES

CN1N=C(SCC2=CC=CC=C2)S\C1=N\C(C)=O

InChI

InChIKey=IPHBGOSQKZPELD-ACCUITESSA-N
InChI=1S/C12H13N3OS2/c1-9(16)13-11-15(2)14-12(18-11)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3/b13-11+

HIDE SMILES / InChI

Molecular Formula C12H13N3OS2
Molecular Weight 279.381
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:25:02 GMT 2025
Edited
by admin
on Wed Apr 02 13:25:02 GMT 2025
Record UNII
AS4ER4ZBK9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(3-METHYL-5-((PHENYLMETHYL)THIO)-1,3,4-THIADIAZOL-2(3H)-YLIDENE)ACETAMIDE
Systematic Name English
ACETAMIDE, N-(3-METHYL-5-((PHENYLMETHYL)THIO)-1,3,4-THIADIAZOL-2(3H)-YLIDENE)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID301142917
Created by admin on Wed Apr 02 13:25:02 GMT 2025 , Edited by admin on Wed Apr 02 13:25:02 GMT 2025
PRIMARY
FDA UNII
AS4ER4ZBK9
Created by admin on Wed Apr 02 13:25:02 GMT 2025 , Edited by admin on Wed Apr 02 13:25:02 GMT 2025
PRIMARY
CAS
95046-30-3
Created by admin on Wed Apr 02 13:25:02 GMT 2025 , Edited by admin on Wed Apr 02 13:25:02 GMT 2025
PRIMARY