sodium (E)-3-oxidanylidene-2-[3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]sulfinyloxy-prop-1-en-1-olate

Systemtic Name: sodium (E)-3-oxidanylidene-2-[3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]sulfinyloxy-prop-1-en-1-olate Openeye Name: sodium (E)-3-oxo-2-[3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]sulfinyloxy-prop-1-en-1-olate CAS Name: sodium (E)-3-oxo-2-[3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]sulfinyloxy-1-propen-1-olate IUPAC Name: sodium (E)-3-oxo-2-[3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]sulfinyloxyprop-1-en-1-olate Traditional Name: sodium (E)-3-keto-2-[3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]sulfinyloxy-prop-1-en-1-olate Formula: C11H8N3NaO4S2 MolecularWeight: 333.31869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)OC(=C[O-])C=O)C2=NC(=S)NN2.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)O/C(=C/[O-])/C=O)C2=NC(=S)NN2.[Na+]

InChI

InChI=1S/C11H9N3O4S2.Na/c15-5-8(6-16)18-20(17)9-3-1-2-7(4-9)10-12-11(19)14-13-10;/h1-6,15H,(H2,12,13,14,19);/q;+1/p-1/b8-5+;