5-(phenylsulfonyl)-2-prop-2-ynylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-(phenylsulfonyl)-2-prop-2-ynylsulfanyl-pyrimidin-4-olate Openeye Name: 5-(benzenesulfonyl)-2-prop-2-ynylsulfanyl-pyrimidin-4-olate CAS Name: 5-(benzenesulfonyl)-2-(prop-2-ynylthio)-4-pyrimidinolate IUPAC Name: 5-(benzenesulfonyl)-2-prop-2-ynylsulfanylpyrimidin-4-olate Traditional Name: 5-besyl-2-(propargylthio)pyrimidin-4-olate Formula: C13H9N2O3S2- MolecularWeight: 305.35216

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC=C(C(=N1)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C#CCSC1=NC=C(C(=N1)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H10N2O3S2/c1-2-8-19-13-14-9-11(12(16)15-13)20(17,18)10-6-4-3-5-7-10/h1,3-7,9H,8H2,(H,14,15,16)/p-1