oxidanylidenetechnetium(3+); 2-[4-(phenylmethyl)piperidin-1-yl]ethanethiolate; 2-(2-sulfanidylethylsulfanyl)ethanethiolate

Systemtic Name: oxidanylidenetechnetium(3+); 2-[4-(phenylmethyl)piperidin-1-yl]ethanethiolate; 2-(2-sulfanidylethylsulfanyl)ethanethiolate Openeye Name: 2-(4-benzyl-1-piperidyl)ethanethiolate; oxotechnetium(3+); 2-(2-sulfidoethylsulfanyl)ethanethiolate CAS Name: oxotechnetium(3+); 2-[4-(phenylmethyl)-1-piperidinyl]ethanethiolate; 2-(2-sulfidoethylthio)ethanethiolate IUPAC Name: 2-(4-benzylpiperidin-1-yl)ethanethiolate; oxotechnetium(3+); 2-(2-sulfidoethylsulfanyl)ethanethiolate Traditional Name: 2-(4-benzylpiperidino)ethanethiolate; ketotechnetium(3+); 2-(2-sulfidoethylthio)ethanethiolate Formula: C18H28NOS4Tc MolecularWeight: 500.588236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC[S-].C(CSCC[S-])[S-].O=[Tc+3]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC[S-].C(CSCC[S-])[S-].O=[Tc+3]

InChI

InChI=1S/C14H21NS.C4H10S3.O.Tc/c16-11-10-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13;5-1-3-7-4-2-6;;/h1-5,14,16H,6-12H2;5-6H,1-4H2;;/q;;;+3/p-3