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Details

Stereochemistry RACEMIC
Molecular Formula C17H17NS
Molecular Weight 267.389
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TISOQUONE

SMILES

CCC1(CNC(=S)C2=C1C=CC=C2)C3=CC=CC=C3

InChI

InChIKey=CTCYPMQAPSGBTQ-UHFFFAOYSA-N
InChI=1S/C17H17NS/c1-2-17(13-8-4-3-5-9-13)12-18-16(19)14-10-6-7-11-15(14)17/h3-11H,2,12H2,1H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C17H17NS
Molecular Weight 267.389
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:30:27 GMT 2023
Edited
by admin
on Sat Dec 16 16:30:27 GMT 2023
Record UNII
2AOU8D2K89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TISOQUONE
INN  
INN  
Official Name English
4-ETHYL-3,4-DIHYDRO-4-PHENYLTHIOISOCARBOSTYRIL
Common Name English
tisoquone [INN]
Common Name English
Code System Code Type Description
SMS_ID
100000082139
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
NCI_THESAURUS
C152663
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
CONCEPT Industrial Aid
EVMPD
SUB11122MIG
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
PUBCHEM
3084799
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104546
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
FDA UNII
2AOU8D2K89
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID60866008
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
INN
3233
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
CAS
40692-37-3
Created by admin on Sat Dec 16 16:30:27 GMT 2023 , Edited by admin on Sat Dec 16 16:30:27 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY