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

Systemtic Name: 2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; oxidanylidenetechnetium(4+); 4-propan-2-ylbenzenethiolate Openeye Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 4-isopropylbenzenethiolate; oxotechnetium(4+) CAS Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium(4+); 4-propan-2-ylbenzenethiolate IUPAC Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium(4+); 4-propan-2-ylbenzenethiolate Traditional Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 4-isopropylbenzenethiolate; ketotechnetium(4+) Formula: C19H33N2OS3Tc+ MolecularWeight: 499.580336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H24N2S2.C9H12S.O.Tc/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;1-7(2)8-3-5-9(10)6-4-8;;/h13-14H,3-10H2,1-2H3;3-7,10H,1-2H3;;/q;;;+4/p-3