2-[(1-methyl-4H-pyridin-3-yl)carbonylamino]ethanethiolate; oxidanylidenetechnetium(3+); 2-(2-sulfanidylethylsulfanyl)ethanethiolate

Systemtic Name: 2-[(1-methyl-4H-pyridin-3-yl)carbonylamino]ethanethiolate; oxidanylidenetechnetium(3+); 2-(2-sulfanidylethylsulfanyl)ethanethiolate Openeye Name: 2-[(1-methyl-4H-pyridine-3-carbonyl)amino]ethanethiolate; oxotechnetium(3+); 2-(2-sulfidoethylsulfanyl)ethanethiolate CAS Name: 2-[[(1-methyl-4H-pyridin-3-yl)-oxomethyl]amino]ethanethiolate; oxotechnetium(3+); 2-(2-sulfidoethylthio)ethanethiolate IUPAC Name: 2-[(1-methyl-4H-pyridine-3-carbonyl)amino]ethanethiolate; oxotechnetium(3+); 2-(2-sulfidoethylsulfanyl)ethanethiolate Traditional Name: ketotechnetium(3+); 2-[(1-methyl-4H-pyridine-3-carbonyl)amino]ethanethiolate; 2-(2-sulfidoethylthio)ethanethiolate Formula: C13H21N2O2S4Tc MolecularWeight: 463.485256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CCC(=C1)C(=O)NCC[S-].C(CSCC[S-])[S-].O=[Tc+3]

Isomeric SMILES

CN1C=CCC(=C1)C(=O)NCC[S-].C(CSCC[S-])[S-].O=[Tc+3]

InChI

InChI=1S/C9H14N2OS.C4H10S3.O.Tc/c1-11-5-2-3-8(7-11)9(12)10-4-6-13;5-1-3-7-4-2-6;;/h2,5,7,13H,3-4,6H2,1H3,(H,10,12);5-6H,1-4H2;;/q;;;+3/p-3