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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H12N2O2S
Molecular Weight 284.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-Methylphenyl)-2-nitrobenzo[b]thiophen-3-amine

SMILES

CC1=CC=C(NC2=C(SC3=CC=CC=C23)[N+]([O-])=O)C=C1

InChI

InChIKey=ZHWKUUXWXYALPI-UHFFFAOYSA-N
InChI=1S/C15H12N2O2S/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)20-15(14)17(18)19/h2-9,16H,1H3

HIDE SMILES / InChI

Molecular Formula C15H12N2O2S
Molecular Weight 284.333
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 Fri Dec 15 17:47:26 GMT 2023
Edited
by admin
on Fri Dec 15 17:47:26 GMT 2023
Record UNII
2S2QS237PF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-Methylphenyl)-2-nitrobenzo[b]thiophen-3-amine
Systematic Name English
Benzo[b]thiophen-3-amine, N-(4-methylphenyl)-2-nitro-
Systematic Name English
Methylphenyl)-2-nitrobenzo(b)thiophen-3-amine, N-(4-
Common Name English
Code System Code Type Description
PUBCHEM
154008
Created by admin on Fri Dec 15 17:47:26 GMT 2023 , Edited by admin on Fri Dec 15 17:47:26 GMT 2023
PRIMARY
CAS
172914-24-8
Created by admin on Fri Dec 15 17:47:26 GMT 2023 , Edited by admin on Fri Dec 15 17:47:26 GMT 2023
PRIMARY
FDA UNII
2S2QS237PF
Created by admin on Fri Dec 15 17:47:26 GMT 2023 , Edited by admin on Fri Dec 15 17:47:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID10169430
Created by admin on Fri Dec 15 17:47:26 GMT 2023 , Edited by admin on Fri Dec 15 17:47:26 GMT 2023
PRIMARY