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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 Sat Dec 16 19:02:38 GMT 2023
Edited
by admin
on Sat Dec 16 19:02:38 GMT 2023
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)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID301142917
Created by admin on Sat Dec 16 19:02:39 GMT 2023 , Edited by admin on Sat Dec 16 19:02:39 GMT 2023
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FDA UNII
AS4ER4ZBK9
Created by admin on Sat Dec 16 19:02:39 GMT 2023 , Edited by admin on Sat Dec 16 19:02:39 GMT 2023
PRIMARY
CAS
95046-30-3
Created by admin on Sat Dec 16 19:02:39 GMT 2023 , Edited by admin on Sat Dec 16 19:02:39 GMT 2023
PRIMARY