3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile

CAS Registry Number®

332110-25-5

CAS Name

3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile

Molecular Formula

C18H12N4O4S3

Molecular Mass

444.51

Cite this Page

3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=332110-25-5 (retrieved 2024-09-27) (CAS RN: 332110-25-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H12N4O4S3/c19-9-16-17(27-10-12-1-5-14(6-2-12)21(23)24)20-29-18(16)28-11-13-3-7-15(8-4-13)22(25)26/h1-8H,10-11H2

InChIKey

InChIKey=MORIEZVIIBHGJZ-UHFFFAOYSA-N

SMILES

C(#N)C=1C(SCC2=CC=C(N(=O)=O)C=C2)=NSC1SCC3=CC=C(N(=O)=O)C=C3

Canonical SMILES

N#CC=1C(=NSC1SCC2=CC=C(C=C2)N(=O)=O)SCC3=CC=C(C=C3)N(=O)=O

Other Names for this Substance

  • 4-Isothiazolecarbonitrile, 3,5-bis[[(4-nitrophenyl)methyl]thio]-
  • 3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile