MOLI000280
Molecular Formula:
C21H29ClN3O2S2Tc+
InChI: InChI=1/C21H32ClN3OS2.O.Tc/c1-24-17-6-7-20(24)19(18(12-17)15-2-4-16(22)5-3-15)13-25(9-11-28)14-21(26)23-8-10-27;;/h2-5,17-20H,6-14H2,1H3,(H3,23,26,27,28);;/q;;+4/p-3/t17u,18-,19+,20u;;/m1../s1/i;;1+1/fC21H29ClN3OS2.O.Tc/q-3;;m/rC21H32ClN3OS2.OTc/c1-24-17-6-7-20(24)19(18(12-17)15-2-4-16(22)5-3-15)13-25(9-11-28)14-21(26)23-8-10-27;1-2/h2-5,17-20H,6-14H2,1H3,(H3,23,26,27,28);/q;+4/p-3/t17u,18-,19+,20u;/m1./s1/i;2+1/fC21H29ClN3OS2.OTc/q-3;m
InChIKey: InChIKey=WFIZPSKFBANRQG-KDPILVNJHH
SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Cl)CN(CC[S-])CC(=O)[N-]CC[S-].O=[Tc+4]
Names:
MOLI000280
2-[[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl-(2-sulfidoethylazanidylcarbonylmethyl)amino]ethanethiolate; oxotechnetium
Registries:
PubChem CID 6326835
PubChem ID 269
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