MOLI000279

Molecular Formula: C21H31BrN3OS2Tc+


InChI: InChI=1/C21H33BrN3S2.O.Tc/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16;;/h2-5,18-21,26-27H,6-15H2,1H3;;/q-1;;+4/p-2/t18u,19-,20+,21u;;/m1../s1/i;;1+1/fC21H31BrN3S2.O.Tc/h26-27h;;/q-3;;m/rC21H33BrN3S2.OTc/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16;1-2/h2-5,18-21,26-27H,6-15H2,1H3;/q-1;+4/p-2/t18u,19-,20+,21u;/m1./s1/i;2+1/fC21H31BrN3S2.OTc/h26-27h;/q-3;m

InChIKey: InChIKey=ADNPHXQXZWRAQZ-VEGUGDAHHI
SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Br)CN(CC[N-]CC[S-])CC[S-].O=[Tc+4]

Names:
    MOLI000279
    2-[[(2S,3S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl-[2-(2-sulfidoethylazanidyl)ethyl]amino]ethanethiolate; oxotechnetium

Registries:
    PubChem CID 6326833
    PubChem ID 268