2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; 3,4-dimethylbenzenethiolate; oxidanylidenetechnetium(4+)

Systemtic Name: 2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; 3,4-dimethylbenzenethiolate; oxidanylidenetechnetium(4+) Openeye Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 3,4-dimethylbenzenethiolate; oxotechnetium(4+) CAS Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 3,4-dimethylbenzenethiolate; oxotechnetium(4+) IUPAC Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 3,4-dimethylbenzenethiolate; oxotechnetium(4+) Traditional Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 3,4-dimethylbenzenethiolate; ketotechnetium(4+) Formula: C18H31N2OS3Tc+ MolecularWeight: 485.553756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC[S-])CC[S-].CC1=C(C=C(C=C1)[S-])C.O=[Tc+4]

Isomeric SMILES

CCN(CC)CCN(CC[S-])CC[S-].CC1=C(C=C(C=C1)[S-])C.O=[Tc+4]

InChI

InChI=1S/C10H24N2S2.C8H10S.O.Tc/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;1-6-3-4-8(9)5-7(6)2;;/h13-14H,3-10H2,1-2H3;3-5,9H,1-2H3;;/q;;;+4/p-3