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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H12N2O5S2
Molecular Weight 352.385
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[5-(Methylsulfonyl)-2-[(2-nitrophenyl)thio]phenyl]formamide

SMILES

CS(=O)(=O)C1=CC=C(SC2=CC=CC=C2[N+]([O-])=O)C(NC=O)=C1

InChI

InChIKey=YTQRRMOEFNDDTC-UHFFFAOYSA-N
InChI=1S/C14H12N2O5S2/c1-23(20,21)10-6-7-13(11(8-10)15-9-17)22-14-5-3-2-4-12(14)16(18)19/h2-9H,1H3,(H,15,17)

HIDE SMILES / InChI

Molecular Formula C14H12N2O5S2
Molecular Weight 352.385
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 Tue Apr 01 19:10:40 GMT 2025
Edited
by admin
on Tue Apr 01 19:10:40 GMT 2025
Record UNII
5V8H5VH6ZB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Formamide, N-[5-(methylsulfonyl)-2-[(2-nitrophenyl)thio]phenyl]-
Preferred Name English
N-[5-(Methylsulfonyl)-2-[(2-nitrophenyl)thio]phenyl]formamide
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
298-152-8
Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025
PRIMARY
PUBCHEM
3022326
Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025
PRIMARY
CAS
93778-18-8
Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID10239627
Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025
PRIMARY
FDA UNII
5V8H5VH6ZB
Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025
PRIMARY