2-(5-phenylpyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-phenylpyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(5-phenyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(5-phenylpyrimidin-2-yl)thio]acetic acid Formula: C12H10N2O2S MolecularWeight: 246.285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)O

InChI

InChI=1S/C12H10N2O2S/c15-11(16)8-17-12-13-6-10(7-14-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)