4-methoxycyclohexane-1-thiolate; oxidanylidenetechnetium(4+); [6-(sulfanidylmethyl)-2H-pyridin-1-id-2-yl]methanethiolate

Systemtic Name: 4-methoxycyclohexane-1-thiolate; oxidanylidenetechnetium(4+); [6-(sulfanidylmethyl)-2H-pyridin-1-id-2-yl]methanethiolate Openeye Name: 4-methoxycyclohexanethiolate; oxotechnetium(4+); [6-(sulfidomethyl)-2H-pyridin-1-id-2-yl]methanethiolate CAS Name: 4-methoxy-1-cyclohexanethiolate; oxotechnetium(4+); [6-(sulfidomethyl)-2H-pyridin-1-id-2-yl]methanethiolate IUPAC Name: 4-methoxycyclohexane-1-thiolate; oxotechnetium(4+); [6-(sulfidomethyl)-2H-pyridin-1-id-2-yl]methanethiolate Traditional Name: ketotechnetium(4+); 4-methoxycyclohexanethiolate; [6-(sulfidomethyl)-2H-pyridin-1-id-2-yl]methanethiolate Formula: C14H21NO2S3Tc MolecularWeight: 429.424256

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)[S-].C1=CC([N-]C(=C1)C[S-])C[S-].O=[Tc+4]

Isomeric SMILES

COC1CCC(CC1)[S-].C1=CC([N-]C(=C1)C[S-])C[S-].O=[Tc+4]

InChI

InChI=1S/C7H10NS2.C7H14OS.O.Tc/c9-4-6-2-1-3-7(5-10)8-6;1-8-6-2-4-7(9)5-3-6;;/h1-3,6,9-10H,4-5H2;6-7,9H,2-5H2,1H3;;/q-1;;;+4/p-3