MOLI000259

Molecular Formula: C₂₈H₃₆ClN₂O₃S₃Tc⁺

InChI: InChI=1/C17H22ClNO2S.C11H17NS2.O.Tc/c1-21-17(20)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)19(13)8-9-22;13-8-6-12(7-9-14)10-11-4-2-1-3-5-11;;/h2-5,13-16,22H,6-10H2,1H3;1-5,13-14H,6-10H2;;/q;;;+4/p-3/t13u,14-,15u,16+;;;/m1.../s1/i;;;1+1/fC17H21ClNO2S.C11H15NS2.O.Tc/h22h;13-14h;;/q-1;-2;;m/rC17H22ClNO2S.C11H17NS2.OTc/c1-21-17(20)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)19(13)8-9-22;13-8-6-12(7-9-14)10-11-4-2-1-3-5-11;1-2/h2-5,13-16,22H,6-10H2,1H3;1-5,13-14H,6-10H2;/q;;+4/p-3/t13u,14-,15u,16+;;/m1../s1/i;;2+1/fC17H21ClNO2S.C11H15NS2.OTc/h22h;13-14h;/q-1;-2;m

InChIKey: InChIKey=NXZJMARTHVDMKF-VVPNIPPMHE
SMILES: COC(=O)C1C2CCC(N2CC[S-])CC1C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)CN(CC[S-])CC[S-].O=[Tc+4]

Names:
    MOLI000259
    2-(benzyl-(2-sulfidoethyl)amino)ethanethiolate; 2-[(2S,3S)-3-(4-chlorophenyl)-2-methoxycarbonyl-8-azabicyclo[3.2.1]oct-8-yl]ethanethiolate; oxotechnetium

Registries:
    PubChem CID 6326826
    PubChem ID 248