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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16N2S2
Molecular Weight 360.495
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-DIHYDRO-4-(4-(PHENYLTHIO)PHENYL)-2H-1,5-BENZODIAZEPINE-2-THIONE

SMILES

S=C1CC(=NC2=CC=CC=C2N1)C3=CC=C(SC4=CC=CC=C4)C=C3

InChI

InChIKey=NOKVZZHHQACBIN-UHFFFAOYSA-N
InChI=1S/C21H16N2S2/c24-21-14-20(22-18-8-4-5-9-19(18)23-21)15-10-12-17(13-11-15)25-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C21H16N2S2
Molecular Weight 360.495
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 Tue Apr 01 19:28:46 GMT 2025
Edited
by admin
on Tue Apr 01 19:28:46 GMT 2025
Record UNII
PFI1NS8YW4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-308906
Preferred Name English
1,3-DIHYDRO-4-(4-(PHENYLTHIO)PHENYL)-2H-1,5-BENZODIAZEPINE-2-THIONE
Systematic Name English
1,3-DIHYDRO-4-(P-(PHENYLTHIO)PHENYL)-2H-1,5-BENZODIAZEPINE-2-THIONE
Systematic Name English
2H-1,5-BENZODIAZEPINE-2-THIONE, 1,3-DIHYDRO-4-(4-(PHENYLTHIO)PHENYL)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
255-196-2
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
PRIMARY
PUBCHEM
3003926
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
PRIMARY
NSC
308906
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
PRIMARY
FDA UNII
PFI1NS8YW4
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID50194024
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
PRIMARY
CAS
41054-49-3
Created by admin on Tue Apr 01 19:28:46 GMT 2025 , Edited by admin on Tue Apr 01 19:28:46 GMT 2025
PRIMARY