2-(4-phenylpyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-phenylpyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-phenylpyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-phenyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-phenylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-phenylpyrimidin-2-yl)thio]acetic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)O

InChI

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