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Details

Stereochemistry ACHIRAL
Molecular Formula C13H8N2S
Molecular Weight 224.281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[2-(2-Methyl-4-thiazolyl)ethynyl]benzonitrile

SMILES

CC1=NC(=CS1)C#CC2=CC=CC(=C2)C#N

InChI

InChIKey=GRUPMMBRLDBTDD-UHFFFAOYSA-N
InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3

HIDE SMILES / InChI

Molecular Formula C13H8N2S
Molecular Weight 224.281
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 15:30:25 GMT 2023
Edited
by admin
on Sat Dec 16 15:30:25 GMT 2023
Record UNII
6QGB2S2KZ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[2-(2-Methyl-4-thiazolyl)ethynyl]benzonitrile
Systematic Name English
Benzonitrile, 3-[2-(2-methyl-4-thiazolyl)ethynyl]-
Systematic Name English
3-(2-(2-Methyl-1,3-thiazol-4-yl)ethynyl)benzenecarbonitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
11535913
Created by admin on Sat Dec 16 15:30:25 GMT 2023 , Edited by admin on Sat Dec 16 15:30:25 GMT 2023
PRIMARY
CAS
878018-41-8
Created by admin on Sat Dec 16 15:30:25 GMT 2023 , Edited by admin on Sat Dec 16 15:30:25 GMT 2023
PRIMARY
FDA UNII
6QGB2S2KZ2
Created by admin on Sat Dec 16 15:30:25 GMT 2023 , Edited by admin on Sat Dec 16 15:30:25 GMT 2023
PRIMARY