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

Systemtic Name: 2-methyl-1-[2-(2-methyl-2-propan-2-ylsulfonio-propyl)azanidylphenyl]azanidyl-propane-2-thiolate; oxidanylidenetechnetium(3+) Openeye Name: 1-[2-(2-isopropylsulfonio-2-methyl-propyl)azanidylphenyl]azanidyl-2-methyl-propane-2-thiolate; oxotechnetium(3+) CAS Name: 2-methyl-1-[2-(2-methyl-2-propan-2-ylsulfoniopropyl)azanidylphenyl]azanidyl-2-propanethiolate; oxotechnetium(3+) IUPAC Name: 2-methyl-1-[2-(2-methyl-2-propan-2-ylsulfoniopropyl)azanidylphenyl]azanidylpropane-2-thiolate; oxotechnetium(3+) Traditional Name: 1-[2-(2-isopropylsulfonio-2-methyl-propyl)azanidylphenyl]azanidyl-2-methyl-propane-2-thiolate; ketotechnetium(3+) Formula: C17H28N2OS2Tc+ MolecularWeight: 438.454236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2S2.O.Tc/c1-13(2)21-17(5,6)12-19-15-10-8-7-9-14(15)18-11-16(3,4)20;;/h7-10,13,20H,11-12H2,1-6H3;;/q-2;;+3