U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 Sat Dec 16 12:57:37 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:37 GMT 2023
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
Benzenepropanenitrile, α,α′-1,2,4-trithiolane-3,5-diylidenebis[β-imino-
Systematic Name English
NSC-298803
Code English
Code System Code Type Description
PUBCHEM
3003919
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
CAS
64247-77-4
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
NSC
298803
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
FDA UNII
N5XJ7VUP6Z
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY