1-[2-(2-butan-2-ylsulfonio-2-methyl-propyl)azanidylphenyl]azanidyl-2-methyl-propane-2-thiolate; oxidanylidenetechnetium(3+)

Systemtic Name: 1-[2-(2-butan-2-ylsulfonio-2-methyl-propyl)azanidylphenyl]azanidyl-2-methyl-propane-2-thiolate; oxidanylidenetechnetium(3+) Openeye Name: 2-methyl-1-[2-(2-methyl-2-sec-butylsulfonio-propyl)azanidylphenyl]azanidyl-propane-2-thiolate; oxotechnetium(3+) CAS Name: 1-[2-(2-butan-2-ylsulfonio-2-methylpropyl)azanidylphenyl]azanidyl-2-methyl-2-propanethiolate; oxotechnetium(3+) IUPAC Name: 1-[2-(2-butan-2-ylsulfonio-2-methylpropyl)azanidylphenyl]azanidyl-2-methylpropane-2-thiolate; oxotechnetium(3+) Traditional Name: ketotechnetium(3+); 2-methyl-1-[2-(2-methyl-2-sec-butylsulfonio-propyl)azanidylphenyl]azanidyl-propane-2-thiolate Formula: C18H30N2OS2Tc+ MolecularWeight: 452.480816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[SH+]C(C)(C)C[N-]C1=CC=CC=C1[N-]CC(C)(C)[S-].O=[Tc+3]

Isomeric SMILES

CCC(C)[SH+]C(C)(C)C[N-]C1=CC=CC=C1[N-]CC(C)(C)[S-].O=[Tc+3]

InChI

InChI=1S/C18H30N2S2.O.Tc/c1-7-14(2)22-18(5,6)13-20-16-11-9-8-10-15(16)19-12-17(3,4)21;;/h8-11,14,21H,7,12-13H2,1-6H3;;/q-2;;+3