MOLI000404
Molecular Formula:
C25H42N4O3S2Tc
InChI: InChI=1/C25H44N4O2S2.O.Tc/c1-7-29(8-2)14-13-27-23(30)21-11-9-20(10-12-21)16-31-17-22(28-19-25(5,6)33)15-26-18-24(3,4)32;;/h9-12,22,32-33H,7-8,13-19H2,1-6H3,(H,27,30);;/q-2;;+4/p-2/i;;1+1/fC25H42N4O2S2.O.Tc/h32-33h,27H;;/q-4;;m/rC25H44N4O2S2.OTc/c1-7-29(8-2)14-13-27-23(30)21-11-9-20(10-12-21)16-31-17-22(28-19-25(5,6)33)15-26-18-24(3,4)32;1-2/h9-12,22,32-33H,7-8,13-19H2,1-6H3,(H,27,30);/q-2;+4/p-2/i;2+1/fC25H42N4O2S2.OTc/h32-33h,27H;/q-4;m
InChIKey: InChIKey=JXKBDUWOVFEOKY-RXVVFIKNGL
SMILES: CCN(CC)CCNC(=O)C1=CC=C(C=C1)COCC(C[N-]CC(C)(C)[S-])[N-]CC(C)(C)[S-].O=[Tc+4]
Names:
MOLI000404
1-[1-[[4-(2-diethylaminoethylcarbamoyl)phenyl]methoxy]-3-(2-methyl-2-sulfido-propyl)azanidyl-propan-2-yl]azanidyl-2-methyl-propane-2-thiolate; oxotechnetium
Registries:
PubChem CID 450028
PubChem ID 393
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