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

Systemtic Name: 2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; oxidanylidenetechnetium(4+); phenylmethanethiolate Openeye Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium(4+); phenylmethanethiolate CAS Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium(4+); phenylmethanethiolate IUPAC Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium(4+); phenylmethanethiolate Traditional Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; ketotechnetium(4+); phenylmethanethiolate Formula: C17H29N2OS3Tc+ MolecularWeight: 471.527176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H24N2S2.C7H8S.O.Tc/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;8-6-7-4-2-1-3-5-7;;/h13-14H,3-10H2,1-2H3;1-5,8H,6H2;;/q;;;+4/p-3