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Details

Stereochemistry ACHIRAL
Molecular Formula C20H12N4S3
Molecular Weight 404.531
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile

SMILES

N=C(C(C#N)=C1SSC(S1)=C(C#N)C(=N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=PZHYZFKULDZSQA-DBGAHSSXSA-N
InChI=1S/C20H12N4S3/c21-11-15(17(23)13-7-3-1-4-8-13)19-25-20(27-26-19)16(12-22)18(24)14-9-5-2-6-10-14/h1-10,23-24H/b19-15-,20-16-,23-17?,24-18?

HIDE SMILES / InChI

Molecular Formula C20H12N4S3
Molecular Weight 404.531
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:02:41 GMT 2025
Edited
by admin
on Tue Apr 01 20:02:41 GMT 2025
Record UNII
N5XJ7VUP6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
Systematic Name English
NSC-298803
Preferred Name English
Benzenepropanenitrile, ?,??-1,2,4-trithiolane-3,5-diylidenebis[?-imino-
Systematic Name English
Code System Code Type Description
PUBCHEM
3003919
Created by admin on Tue Apr 01 20:02:41 GMT 2025 , Edited by admin on Tue Apr 01 20:02:41 GMT 2025
PRIMARY
CAS
64247-77-4
Created by admin on Tue Apr 01 20:02:41 GMT 2025 , Edited by admin on Tue Apr 01 20:02:41 GMT 2025
PRIMARY
NSC
298803
Created by admin on Tue Apr 01 20:02:41 GMT 2025 , Edited by admin on Tue Apr 01 20:02:41 GMT 2025
PRIMARY
FDA UNII
N5XJ7VUP6Z
Created by admin on Tue Apr 01 20:02:41 GMT 2025 , Edited by admin on Tue Apr 01 20:02:41 GMT 2025
PRIMARY