4-Chloro-6-phenyl-2-[(phenylmethyl)thio]-5-pyrimidinecarbonitrile

CAS Registry Number®

303985-04-8

CAS Name

4-Chloro-6-phenyl-2-[(phenylmethyl)thio]-5-pyrimidinecarbonitrile

Molecular Formula

C18H12ClN3S

Molecular Mass

337.83

Cite this Page

4-Chloro-6-phenyl-2-[(phenylmethyl)thio]-5-pyrimidinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=303985-04-8 (retrieved 2024-11-23) (CAS RN: 303985-04-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H12ClN3S/c19-17-15(11-20)16(14-9-5-2-6-10-14)21-18(22-17)23-12-13-7-3-1-4-8-13/h1-10H,12H2

InChIKey

InChIKey=AEXBGUMFZCKXCD-UHFFFAOYSA-N

SMILES

C(#N)C=1C(=NC(SCC2=CC=CC=C2)=NC1Cl)C3=CC=CC=C3

Canonical SMILES

N#CC=1C(Cl)=NC(=NC1C=2C=CC=CC2)SCC=3C=CC=CC3

Other Names for this Substance

  • 5-Pyrimidinecarbonitrile, 4-chloro-6-phenyl-2-[(phenylmethyl)thio]-
  • 4-Chloro-6-phenyl-2-[(phenylmethyl)thio]-5-pyrimidinecarbonitrile
  • 2-(Benzylthio)-4-chloro-6-phenylpyrimidine-5-carbonitrile

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