2-(5-phenylpyrimidin-4-yl)sulfanylethanoate

Systemtic Name: 2-(5-phenylpyrimidin-4-yl)sulfanylethanoate Openeye Name: 2-(5-phenylpyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-phenyl-4-pyrimidinyl)thio]acetate IUPAC Name: 2-(5-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-phenylpyrimidin-4-yl)thio]acetate Formula: C12H9N2O2S- MolecularWeight: 245.27706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=CN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=CN=C2SCC(=O)[O-]

InChI

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