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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20N2S
Molecular Weight 320.451
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CYANODOTHIEPIN

SMILES

CN(C)CC\C=C1/C2=C(CSC3=C1C=C(C=C3)C#N)C=CC=C2

InChI

InChIKey=FSIRGTNPQFDCCD-QGMBQPNBSA-N
InChI=1S/C20H20N2S/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-23-20-10-9-15(13-21)12-19(18)20/h3-4,6-10,12H,5,11,14H2,1-2H3/b18-8+

HIDE SMILES / InChI
Molecular Formula C20H20N2S
Molecular Weight 320.451
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
134361
Substance Class Chemical
Created
by admin
on Thu Jul 06 22:46:23 UTC 2023
Edited
by admin
on Thu Jul 06 22:46:23 UTC 2023
Record UNII
KK5VES2GLD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYANODOTHIEPIN
Common Name English
11-(3-(DIMETHYLAMINO)PROPYLIDENE)-6,11-DIHYDRODIBENZO(B,E)THIEPIN-2-CARBONITRILE
Systematic Name English
Dibenzo[b,e]thiepin-2-carbonitrile, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-
Systematic Name English
Dibenzo[b,e]thiepin-2-carbonitrile, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, (E)-
Systematic Name English
(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-2-carbonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
KK5VES2GLD
Created by admin on Thu Jul 06 22:46:24 UTC 2023 , Edited by admin on Thu Jul 06 22:46:24 UTC 2023
PRIMARY
CAS
90667-37-1
Created by admin on Thu Jul 06 22:46:24 UTC 2023 , Edited by admin on Thu Jul 06 22:46:24 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
13276753
Created by admin on Thu Jul 06 22:46:24 UTC 2023 , Edited by admin on Thu Jul 06 22:46:24 UTC 2023
PRIMARY
CAS
115475-38-2
Created by admin on Thu Jul 06 22:46:24 UTC 2023 , Edited by admin on Thu Jul 06 22:46:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID20534059
Created by admin on Thu Jul 06 22:46:24 UTC 2023 , Edited by admin on Thu Jul 06 22:46:24 UTC 2023
PRIMARY
WIKIPEDIA
Cyanodothiepin
Created by admin on Thu Jul 06 22:46:24 UTC 2023 , Edited by admin on Thu Jul 06 22:46:24 UTC 2023
PRIMARY
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NIH
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