3-ethyl-5-(phenylsulfonyl)-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 3-ethyl-5-(phenylsulfonyl)-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-(benzenesulfonyl)-3-ethyl-2-thioxo-pyrimidin-4-olate CAS Name: 5-(benzenesulfonyl)-3-ethyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-(benzenesulfonyl)-3-ethyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-besyl-3-ethyl-2-thioxo-pyrimidin-4-olate Formula: C12H11N2O3S2- MolecularWeight: 295.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=NC1=S)S(=O)(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCN1C(=C(C=NC1=S)S(=O)(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H12N2O3S2/c1-2-14-11(15)10(8-13-12(14)18)19(16,17)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3/p-1