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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C3=CC=CC=C3)C(=O)O

InChI

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