CYANODOTHIEPIN

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NCATS

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

Structure Search

SMILES

CN(C)CC\C=C1/C2=CC=CC=C2CSC3=CC=C(C=C13)C#N

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

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:03:11 GMT 2025` Edited by `admin` on `Wed Apr 02 09:03:11 GMT 2025`
Record UNII	KK5VES2GLD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYANODOTHIEPIN

Common Name

English

(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-2-carbonitrile

Preferred 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

Code System Code Type Description

FDA UNII

KK5VES2GLD

Created by admin on Wed Apr 02 09:03:11 GMT 2025 , Edited by admin on Wed Apr 02 09:03:11 GMT 2025

PRIMARY

CAS

90667-37-1

Created by admin on Wed Apr 02 09:03:11 GMT 2025 , Edited by admin on Wed Apr 02 09:03:11 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

13276753

Created by admin on Wed Apr 02 09:03:11 GMT 2025 , Edited by admin on Wed Apr 02 09:03:11 GMT 2025

PRIMARY

CAS

115475-38-2

Created by admin on Wed Apr 02 09:03:11 GMT 2025 , Edited by admin on Wed Apr 02 09:03:11 GMT 2025

PRIMARY

EPA CompTox

DTXSID20534059

Created by admin on Wed Apr 02 09:03:11 GMT 2025 , Edited by admin on Wed Apr 02 09:03:11 GMT 2025

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WIKIPEDIA

Cyanodothiepin

Created by admin on Wed Apr 02 09:03:11 GMT 2025 , Edited by admin on Wed Apr 02 09:03:11 GMT 2025

PRIMARY

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