2-[6-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-5-phenyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: 2-[6-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-5-phenyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: 2-[6-(2-oxido-2-oxo-ethyl)sulfanyl-5-phenyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-[(2-oxido-2-oxoethyl)thio]-5-phenyl-4-pyrimidinyl]thio]acetate IUPAC Name: 2-[6-(2-oxido-2-oxoethyl)sulfanyl-5-phenylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-[(2-keto-2-oxido-ethyl)thio]-5-phenyl-pyrimidin-4-yl]thio]acetate Formula: C14H10N2O4S2-2 MolecularWeight: 334.3702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S2/c17-10(18)6-21-13-12(9-4-2-1-3-5-9)14(16-8-15-13)22-7-11(19)20/h1-5,8H,6-7H2,(H,17,18)(H,19,20)/p-2