1-(4-methoxyphenyl)azanidyl-2-methyl-propane-2-thiolate; oxidanylidenetechnetium(3+); pyridin-2-ylmethanethiolate

Systemtic Name: 1-(4-methoxyphenyl)azanidyl-2-methyl-propane-2-thiolate; oxidanylidenetechnetium(3+); pyridin-2-ylmethanethiolate Openeye Name: 1-(4-methoxyphenyl)azanidyl-2-methyl-propane-2-thiolate; oxotechnetium(3+); 2-pyridylmethanethiolate CAS Name: 1-(4-methoxyphenyl)azanidyl-2-methyl-2-propanethiolate; oxotechnetium(3+); 2-pyridinylmethanethiolate IUPAC Name: 1-(4-methoxyphenyl)azanidyl-2-methylpropane-2-thiolate; oxotechnetium(3+); pyridin-2-ylmethanethiolate Traditional Name: ketotechnetium(3+); 1-(4-methoxyphenyl)azanidyl-2-methyl-propane-2-thiolate; 2-pyridylmethanethiolate Formula: C17H21N2O2S2Tc MolecularWeight: 447.398056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NOS.C6H7NS.O.Tc/c1-11(2,14)8-12-9-4-6-10(13-3)7-5-9;8-5-6-3-1-2-4-7-6;;/h4-7,14H,8H2,1-3H3;1-4,8H,5H2;;/q-1;;;+3/p-2