oxidanylidenetechnetium(4+); 2-[1-propan-2-yl-5-(2-sulfanidylethylazanidyl)azepan-4-yl]azanidylethanethiolate

Systemtic Name: oxidanylidenetechnetium(4+); 2-[1-propan-2-yl-5-(2-sulfanidylethylazanidyl)azepan-4-yl]azanidylethanethiolate Openeye Name: 2-[1-isopropyl-5-(2-sulfidoethylazanidyl)azepan-4-yl]azanidylethanethiolate; oxotechnetium(4+) CAS Name: oxotechnetium(4+); 2-[[1-propan-2-yl-5-(2-sulfidoethylazanidyl)-4-azepanyl]azanidyl]ethanethiolate IUPAC Name: oxotechnetium(4+); 2-[1-propan-2-yl-5-(2-sulfidoethylazanidyl)azepan-4-yl]azanidylethanethiolate Traditional Name: 2-[1-isopropyl-5-(2-sulfidoethylazanidyl)azepan-4-yl]azanidylethanethiolate; ketotechnetium(4+) Formula: C13H25N3OS2Tc MolecularWeight: 401.394316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(C(CC1)[N-]CC[S-])[N-]CC[S-].O=[Tc+4]

Isomeric SMILES

CC(C)N1CCC(C(CC1)[N-]CC[S-])[N-]CC[S-].O=[Tc+4]

InChI

InChI=1S/C13H27N3S2.O.Tc/c1-11(2)16-7-3-12(14-5-9-17)13(4-8-16)15-6-10-18;;/h11-13,17-18H,3-10H2,1-2H3;;/q-2;;+4/p-2