4-bromanylbenzenethiolate; 2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; oxidanylidenetechnetium(4+)

Systemtic Name: 4-bromanylbenzenethiolate; 2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; oxidanylidenetechnetium(4+) Openeye Name: 4-bromobenzenethiolate; 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium(4+) CAS Name: 4-bromobenzenethiolate; 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium(4+) IUPAC Name: 4-bromobenzenethiolate; 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium(4+) Traditional Name: 4-bromobenzenethiolate; 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; ketotechnetium(4+) Formula: C16H26BrN2OS3Tc+ MolecularWeight: 536.396656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC[S-])CC[S-].C1=CC(=CC=C1[S-])Br.O=[Tc+4]

Isomeric SMILES

CCN(CC)CCN(CC[S-])CC[S-].C1=CC(=CC=C1[S-])Br.O=[Tc+4]

InChI

InChI=1S/C10H24N2S2.C6H5BrS.O.Tc/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;7-5-1-3-6(8)4-2-5;;/h13-14H,3-10H2,1-2H3;1-4,8H;;/q;;;+4/p-3