4-(2-methylsulfanylphenyl)-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-methylsulfanylphenyl)-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methylsulfanylphenyl)-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-[2-(methylthio)phenyl]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methylsulfanylphenyl)-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-[2-(methylthio)phenyl]-2-phenyl-pyrimidine-5-carboxylic acid Formula: C18H14N2O2S MolecularWeight: 322.38096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O2S/c1-23-15-10-6-5-9-13(15)16-14(18(21)22)11-19-17(20-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,21,22)