3-[methyl(3-phenylpropyl)amino]propane-1-thiolate; oxidanylidenetechnetium(3+); 2-(2-sulfanidylethylsulfanyl)ethanethiolate

Systemtic Name: 3-[methyl(3-phenylpropyl)amino]propane-1-thiolate; oxidanylidenetechnetium(3+); 2-(2-sulfanidylethylsulfanyl)ethanethiolate Openeye Name: 3-[methyl(3-phenylpropyl)amino]propane-1-thiolate; oxotechnetium(3+); 2-(2-sulfidoethylsulfanyl)ethanethiolate CAS Name: 3-[methyl(3-phenylpropyl)amino]-1-propanethiolate; oxotechnetium(3+); 2-(2-sulfidoethylthio)ethanethiolate IUPAC Name: 3-[methyl(3-phenylpropyl)amino]propane-1-thiolate; oxotechnetium(3+); 2-(2-sulfidoethylsulfanyl)ethanethiolate Traditional Name: ketotechnetium(3+); 3-[methyl(3-phenylpropyl)amino]propane-1-thiolate; 2-(2-sulfidoethylthio)ethanethiolate Formula: C17H28NOS4Tc MolecularWeight: 488.577536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)CCC[S-].C(CSCC[S-])[S-].O=[Tc+3]

Isomeric SMILES

CN(CCCC1=CC=CC=C1)CCC[S-].C(CSCC[S-])[S-].O=[Tc+3]

InChI

InChI=1S/C13H21NS.C4H10S3.O.Tc/c1-14(11-6-12-15)10-5-9-13-7-3-2-4-8-13;5-1-3-7-4-2-6;;/h2-4,7-8,15H,5-6,9-12H2,1H3;5-6H,1-4H2;;/q;;;+3/p-3