2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; (4-nitrophenyl)methanethiolate; oxidanylidenetechnetium-99(3+)

Systemtic Name: 2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; (4-nitrophenyl)methanethiolate; oxidanylidenetechnetium-99(3+) Openeye Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; (4-nitrophenyl)methanethiolate; oxotechnetium-99(3+) CAS Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; (4-nitrophenyl)methanethiolate; oxotechnetium-99(3+) IUPAC Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; (4-nitrophenyl)methanethiolate; oxotechnetium-99(3+) Traditional Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; ketotechnetium-99(3+); (4-nitrophenyl)methanethiolate Formula: C17H28N3O3S3Tc MolecularWeight: 517.523775

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC[S-])CC[S-].C1=CC(=CC=C1C[S-])[N+](=O)[O-].O=[Tc+3]

Isomeric SMILES

CCN(CC)CCN(CC[S-])CC[S-].C1=CC(=CC=C1C[S-])[N+](=O)[O-].O=[99Tc+3]

InChI

InChI=1S/C10H24N2S2.C7H7NO2S.O.Tc/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;9-8(10)7-3-1-6(5-11)2-4-7;;/h13-14H,3-10H2,1-2H3;1-4,11H,5H2;;/q;;;+3/p-3/i;;;1+1