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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11ClN2O2S
Molecular Weight 294.757
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-

SMILES

[O-][N+](=O)C1=CC=C(NCSC2=CC=C(Cl)C=C2)C=C1

InChI

InChIKey=OWRLOGVOPJWMPD-UHFFFAOYSA-N
InChI=1S/C13H11ClN2O2S/c14-10-1-7-13(8-2-10)19-9-15-11-3-5-12(6-4-11)16(17)18/h1-8,15H,9H2

HIDE SMILES / InChI

Molecular Formula C13H11ClN2O2S
Molecular Weight 294.757
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 19:34:40 GMT 2025
Edited
by admin
on Tue Apr 01 19:34:40 GMT 2025
Record UNII
3D8X5HG29Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-
Common Name English
NSC-57942
Preferred Name English
N-[[(4-Chlorophenyl)thio]methyl]-4-nitrobenzenamine
Systematic Name English
Aniline, N-[[(p-chlorophenyl)thio]methyl]-p-nitro-
Systematic Name English
Benzenamine, N-[[(4-chlorophenyl)thio]methyl]-4-nitro-
Systematic Name English
Code System Code Type Description
CAS
6631-87-4
Created by admin on Tue Apr 01 19:34:41 GMT 2025 , Edited by admin on Tue Apr 01 19:34:41 GMT 2025
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NSC
57942
Created by admin on Tue Apr 01 19:34:41 GMT 2025 , Edited by admin on Tue Apr 01 19:34:41 GMT 2025
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EPA CompTox
DTXSID00216523
Created by admin on Tue Apr 01 19:34:41 GMT 2025 , Edited by admin on Tue Apr 01 19:34:41 GMT 2025
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PUBCHEM
23116
Created by admin on Tue Apr 01 19:34:41 GMT 2025 , Edited by admin on Tue Apr 01 19:34:41 GMT 2025
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FDA UNII
3D8X5HG29Y
Created by admin on Tue Apr 01 19:34:41 GMT 2025 , Edited by admin on Tue Apr 01 19:34:41 GMT 2025
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