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

Systemtic Name: 2-methyl-1-[2-(2-methyl-2-prop-2-ynylsulfonio-propyl)azanidylphenyl]azanidyl-propane-2-thiolate; oxidanylidenetechnetium(3+) Openeye Name: 2-methyl-1-[2-(2-methyl-2-prop-2-ynylsulfonio-propyl)azanidylphenyl]azanidyl-propane-2-thiolate; oxotechnetium(3+) CAS Name: 2-methyl-1-[2-(2-methyl-2-prop-2-ynylsulfoniopropyl)azanidylphenyl]azanidyl-2-propanethiolate; oxotechnetium(3+) IUPAC Name: 2-methyl-1-[2-(2-methyl-2-prop-2-ynylsulfoniopropyl)azanidylphenyl]azanidylpropane-2-thiolate; oxotechnetium(3+) Traditional Name: ketotechnetium(3+); 2-methyl-1-[2-(2-methyl-2-propargylsulfonio-propyl)azanidylphenyl]azanidyl-propane-2-thiolate Formula: C17H24N2OS2Tc+ MolecularWeight: 434.422476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2S2.O.Tc/c1-6-11-21-17(4,5)13-19-15-10-8-7-9-14(15)18-12-16(2,3)20;;/h1,7-10,20H,11-13H2,2-5H3;;/q-2;;+3