2-methylazanidylethanethiolate; oxidanylidenetechnetium(4+); 2-(1-propan-2-ylazepan-4-yl)azanidylethanethiolate

Systemtic Name: 2-methylazanidylethanethiolate; oxidanylidenetechnetium(4+); 2-(1-propan-2-ylazepan-4-yl)azanidylethanethiolate Openeye Name: 2-(1-isopropylazepan-4-yl)azanidylethanethiolate; 2-methylazanidylethanethiolate; oxotechnetium(4+) CAS Name: 2-methylazanidylethanethiolate; oxotechnetium(4+); 2-[(1-propan-2-yl-4-azepanyl)azanidyl]ethanethiolate IUPAC Name: 2-methylazanidylethanethiolate; oxotechnetium(4+); 2-(1-propan-2-ylazepan-4-yl)azanidylethanethiolate Traditional Name: 2-(1-isopropylazepan-4-yl)azanidylethanethiolate; ketotechnetium(4+); 2-methylazanidylethanethiolate Formula: C14H29N3OS2Tc MolecularWeight: 417.436776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC(CC1)[N-]CC[S-].C[N-]CC[S-].O=[Tc+4]

Isomeric SMILES

CC(C)N1CCCC(CC1)[N-]CC[S-].C[N-]CC[S-].O=[Tc+4]

InChI

InChI=1S/C11H23N2S.C3H8NS.O.Tc/c1-10(2)13-7-3-4-11(5-8-13)12-6-9-14;1-4-2-3-5;;/h10-11,14H,3-9H2,1-2H3;5H,2-3H2,1H3;;/q2*-1;;+4/p-2