2-[[(2,6-Dichlorophenyl)methyl]thio]-1,6-dihydro-6-oxo-4-phenyl-5-pyrimidinecarbonitrile

CAS Registry Number®

478261-70-0
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CAS Name

2-[[(2,6-Dichlorophenyl)methyl]thio]-1,6-dihydro-6-oxo-4-phenyl-5-pyrimidinecarbonitrile

Molecular Formula

C18H11Cl2N3OS

Molecular Mass

388.27

Cite this Page

2-[[(2,6-Dichlorophenyl)methyl]thio]-1,6-dihydro-6-oxo-4-phenyl-5-pyrimidinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=478261-70-0 (retrieved 2024-09-09) (CAS RN: 478261-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H11Cl2N3OS/c19-14-7-4-8-15(20)13(14)10-25-18-22-16(11-5-2-1-3-6-11)12(9-21)17(24)23-18/h1-8H,10H2,(H,22,23,24)

InChIKey

InChIKey=ATFOXCZQSXAQSV-UHFFFAOYSA-N

SMILES

C(#N)C1=C(NC(SCC2=C(Cl)C=CC=C2Cl)=NC1=O)C3=CC=CC=C3

Canonical SMILES

N#CC=1C(=O)N=C(SCC=2C(Cl)=CC=CC2Cl)NC1C=3C=CC=CC3

Other Names for this Substance

  • 5-Pyrimidinecarbonitrile, 2-[[(2,6-dichlorophenyl)methyl]thio]-1,6-dihydro-6-oxo-4-phenyl-
  • 5-Pyrimidinecarbonitrile, 2-[[(2,6-dichlorophenyl)methyl]thio]-1,4-dihydro-4-oxo-6-phenyl-
  • 2-[[(2,6-Dichlorophenyl)methyl]thio]-1,6-dihydro-6-oxo-4-phenyl-5-pyrimidinecarbonitrile
  • 2-((2,6-Dichlorobenzyl)thio)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile