4-[(4-Chlorophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid

CAS Registry Number®

477854-49-2
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CAS Name

4-[(4-Chlorophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid

Molecular Formula

C17H11ClN2O2S

Molecular Mass

342.80

Cite this Page

4-[(4-Chlorophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=477854-49-2 (retrieved 2024-09-07) (CAS RN: 477854-49-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H11ClN2O2S/c18-12-6-8-13(9-7-12)23-16-14(17(21)22)10-19-15(20-16)11-4-2-1-3-5-11/h1-10H,(H,21,22)

InChIKey

InChIKey=XCLVRQWGIVGGDE-UHFFFAOYSA-N

SMILES

S(C=1C(C(O)=O)=CN=C(N1)C2=CC=CC=C2)C3=CC=C(Cl)C=C3

Canonical SMILES

O=C(O)C1=CN=C(N=C1SC2=CC=C(Cl)C=C2)C=3C=CC=CC3

Other Names for this Substance

  • 5-Pyrimidinecarboxylic acid, 4-[(4-chlorophenyl)thio]-2-phenyl-
  • 4-[(4-Chlorophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid