2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethanethiolate; oxidanylidenetechnetium-99(3+); 2-(2-sulfanidylethylsulfanyl)ethanethiolate; iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethanethiolate; oxidanylidenetechnetium-99(3+); 2-(2-sulfanidylethylsulfanyl)ethanethiolate; iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethanethiolate; oxotechnetium-99(3+); 2-(2-sulfidoethylsulfanyl)ethanethiolate; iodide CAS Name: 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethanethiolate; oxotechnetium-99(3+); 2-(2-sulfidoethylthio)ethanethiolate; iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethanethiolate; oxotechnetium-99(3+); 2-(2-sulfidoethylsulfanyl)ethanethiolate; iodide Traditional Name: ketotechnetium-99(3+); 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethanethiolate; 2-(2-sulfidoethylthio)ethanethiolate; iodide Formula: C13H20IN2O2S4Tc MolecularWeight: 590.380825

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCC[S-].C(CSCC[S-])[S-].O=[Tc+3].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCC[S-].C(CSCC[S-])[S-].O=[99Tc+3].[I-]

InChI

InChI=1S/C9H12N2OS.C4H10S3.HI.O.Tc/c1-11-5-2-3-8(7-11)9(12)10-4-6-13;5-1-3-7-4-2-6;;;/h2-3,5,7H,4,6H2,1H3,(H-,10,12,13);5-6H,1-4H2;1H;;/q;;;;+3/p-3/i;;;;1+1