2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetate IUPAC Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diphenylpyrimidin-2-yl)thio]acetate Formula: C18H13N2O2S- MolecularWeight: 321.37302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O2S/c21-17(22)12-23-18-19-15(13-7-3-1-4-8-13)11-16(20-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,22)/p-1