MOLI000252
Molecular Formula:
C22H32ClN2O3S3Tc+
InChI: InChI=1/C17H22ClNO2S.C5H13NS2.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;1-6(2-4-7)3-5-8;;/h2-5,13-16,22H,6-10H2,1H3;7-8H,2-5H2,1H3;;/q;;;+4/p-3/t13u,14-,15u,16+;;;/m1.../s1/i;;;1+1/fC17H21ClNO2S.C5H11NS2.O.Tc/h22h;7-8h;;/q-1;-2;;m/rC17H22ClNO2S.C5H13NS2.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;1-6(2-4-7)3-5-8;1-2/h2-5,13-16,22H,6-10H2,1H3;7-8H,2-5H2,1H3;/q;;+4/p-3/t13u,14-,15u,16+;;/m1../s1/i;;2+1/fC17H21ClNO2S.C5H11NS2.OTc/h22h;7-8h;/q-1;-2;m
InChIKey: InChIKey=HTOJSXQYRDOMLT-HWUTTWJLHP
SMILES: CN(CC[S-])CC[S-].COC(=O)C1C2CCC(N2CC[S-])CC1C3=CC=C(C=C3)Cl.O=[Tc+4]
Names:
MOLI000252
2-[(2S,3S)-3-(4-chlorophenyl)-2-methoxycarbonyl-8-azabicyclo[3.2.1]oct-8-yl]ethanethiolate; 2-(methyl-(2-sulfidoethyl)amino)ethanethiolate; oxotechnetium
Registries:
PubChem CID 6326816
PubChem ID 241
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