methyl 2-[2-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]cyclopentene-1-carbodithioate; oxidanylidenetechnetium-99

Systemtic Name: methyl 2-[2-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]cyclopentene-1-carbodithioate; oxidanylidenetechnetium-99 Openeye Name: methyl 2-[2-[[(Z)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]cyclopentene-1-carbodithioate; oxotechnetium-99 CAS Name: 2-[2-[[(Z)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]ethylamino]-1-cyclopentenecarbodithioic acid methyl ester; oxotechnetium-99 IUPAC Name: methyl 2-[2-[[(Z)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]cyclopentene-1-carbodithioate; oxotechnetium-99 Traditional Name: 2-[2-[[(Z)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]cyclopentene-1-carbodithioic acid methyl ester; ketotechnetium-99 Formula: C16H19N3O4S2Tc MolecularWeight: 480.376015

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1=C(CCC1)NCCNC=C2C=C(C=CC2=O)[N+](=O)[O-].O=[Tc]

Isomeric SMILES

CSC(=S)C1=C(CCC1)NCCN/C=C\2/C=C(C=CC2=O)[N+](=O)[O-].O=[99Tc]

InChI

InChI=1S/C16H19N3O3S2.O.Tc/c1-24-16(23)13-3-2-4-14(13)18-8-7-17-10-11-9-12(19(21)22)5-6-15(11)20;;/h5-6,9-10,17-18H,2-4,7-8H2,1H3;;/b11-10-;;/i;;1+1