3-sulfanylidene-1,2-dihydroimidazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-sulfanylidene-1,2-dihydroimidazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-thioxo-1,2-dihydroimidazol-3-ium; trifluoromethanesulfonate CAS Name: 3-sulfanylidene-1,2-dihydroimidazol-3-ium; trifluoromethanesulfonate IUPAC Name: 3-sulfanylidene-1,2-dihydroimidazol-3-ium; trifluoromethanesulfonate Traditional Name: 1-thioxo-4-imidazolin-1-ium triflate Formula: C4H5F3N2O3S2 MolecularWeight: 250.21931

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Descriptors Computed from Structure

Canonical SMILES:

C1NC=C[N+]1=S.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1NC=C[N+]1=S.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C3H5N2S.CHF3O3S/c6-5-2-1-4-3-5;2-1(3,4)8(5,6)7/h1-2,4H,3H2;(H,5,6,7)/q+1;/p-1