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

Systemtic Name: 1-[2-(2-but-3-enylsulfanyl-2-methyl-propyl)azanidylphenyl]azanidyl-2-methyl-propane-2-thiolate; oxidanylidenetechnetium(3+) Openeye Name: 1-[2-(2-but-3-enylsulfanyl-2-methyl-propyl)azanidylphenyl]azanidyl-2-methyl-propane-2-thiolate; oxotechnetium(3+) CAS Name: 1-[2-[2-(but-3-enylthio)-2-methylpropyl]azanidylphenyl]azanidyl-2-methyl-2-propanethiolate; oxotechnetium(3+) IUPAC Name: 1-[2-(2-but-3-enylsulfanyl-2-methylpropyl)azanidylphenyl]azanidyl-2-methylpropane-2-thiolate; oxotechnetium(3+) Traditional Name: 1-[2-[2-(but-3-enylthio)-2-methyl-propyl]azanidylphenyl]azanidyl-2-methyl-propane-2-thiolate; ketotechnetium(3+) Formula: C18H27N2OS2Tc MolecularWeight: 449.456996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2S2.O.Tc/c1-6-7-12-22-18(4,5)14-20-16-11-9-8-10-15(16)19-13-17(2,3)21;;/h6,8-11,21H,1,7,12-14H2,2-5H3;;/q-2;;+3/p-1