sodium 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: sodium 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: sodium 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: sodium 2-[(4,6-diphenyl-2-pyrimidinyl)thio]-2-phenylacetate IUPAC Name: sodium 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-2-phenylacetate Traditional Name: sodium 2-[(4,6-diphenylpyrimidin-2-yl)thio]-2-phenyl-acetate Formula: C24H17N2NaO2S MolecularWeight: 420.45875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SC(C3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SC(C3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C24H18N2O2S.Na/c27-23(28)22(19-14-8-3-9-15-19)29-24-25-20(17-10-4-1-5-11-17)16-21(26-24)18-12-6-2-7-13-18;/h1-16,22H,(H,27,28);/q;+1/p-1