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

CAS Registry Number®

400076-29-1
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CAS Name

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

Molecular Formula

C17H11ClN2O2S

Molecular Mass

342.80

Cite this Page

4-[(2-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=400076-29-1 (retrieved 2024-08-20) (CAS RN: 400076-29-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XRXLIOPCXHGGGZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CN=C(N=C1SC=2C=CC=CC2Cl)C=3C=CC=CC3

Other Names for this Substance

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