MOLI000253
Molecular Formula:
C26H40FN2O3S3Tc+
InChI: InChI=1/C17H22FNO2S.C9H21NS2.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;1-8(2,11)6-10(5)7-9(3,4)12;;/h2-5,13-16,22H,6-10H2,1H3;11-12H,6-7H2,1-5H3;;/q;;;+4/p-3/t13u,14-,15u,16+;;;/m1.../s1/i;;;1+1/fC17H21FNO2S.C9H19NS2.O.Tc/h22h;11-12h;;/q-1;-2;;m/rC17H22FNO2S.C9H21NS2.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;1-8(2,11)6-10(5)7-9(3,4)12;1-2/h2-5,13-16,22H,6-10H2,1H3;11-12H,6-7H2,1-5H3;/q;;+4/p-3/t13u,14-,15u,16+;;/m1../s1/i;;2+1/fC17H21FNO2S.C9H19NS2.OTc/h22h;11-12h;/q-1;-2;m
InChIKey: InChIKey=BMZRBKBZMPHDAK-IBVHLVAYHQ
SMILES: CC(C)(CN(C)CC(C)(C)[S-])[S-].COC(=O)C1C2CCC(N2CC[S-])CC1C3=CC=C(C=C3)F.O=[Tc+4]
Names:
MOLI000253
2-[(2S,3S)-3-(4-fluorophenyl)-2-methoxycarbonyl-8-azabicyclo[3.2.1]oct-8-yl]ethanethiolate; 2-methyl-1-[methyl-(2-methyl-2-sulfido-propyl)amino]propane-2-thiolate; oxotechnetium
Registries:
PubChem CID 6326818
PubChem ID 242
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