2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-2-phenyl-acetic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC(C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SC(C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O2S/c1-13-20-16(14-8-4-2-5-9-14)12-17(21-13)24-18(19(22)23)15-10-6-3-7-11-15/h2-12,18H,1H3,(H,22,23)