oxygen(2-); N-phenyl-1-[3-(N-phenyl-C-sulfanidyl-carbonimidoyl)azanidylpropylazanidyl]methanimidothioate; technetium-99(6+)

Systemtic Name: oxygen(2-); N-phenyl-1-[3-(N-phenyl-C-sulfanidyl-carbonimidoyl)azanidylpropylazanidyl]methanimidothioate; technetium-99(6+) Openeye Name: oxygen(2-); N-phenyl-1-[3-(N-phenyl-C-sulfido-carbonimidoyl)azanidylpropylazanidyl]methanimidothioate; technetium-99(6+) CAS Name: oxygen(2-); N-phenyl-1-[3-[phenylimino(sulfido)methyl]azanidylpropylazanidyl]methanimidothioate; technetium-99(6+) IUPAC Name: oxygen(2-); N-phenyl-1-[3-(N-phenyl-C-sulfidocarbonimidoyl)azanidylpropylazanidyl]methanimidothioate; technetium-99(6+) Traditional Name: oxygen(2-); N-phenyl-1-[3-(N-phenyl-C-sulfido-carbonimidoyl)azanidylpropylazanidyl]thioformimidate; technetium-99(6+) Formula: C17H16N4OS2Tc MolecularWeight: 455.371395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C([N-]CCC[N-]C(=NC2=CC=CC=C2)[S-])[S-].[O-2].[Tc+6]

Isomeric SMILES

C1=CC=C(C=C1)N=C([N-]CCC[N-]C(=NC2=CC=CC=C2)[S-])[S-].[O-2].[99Tc+6]

InChI

InChI=1S/C17H18N4S2.O.Tc/c22-16(20-14-8-3-1-4-9-14)18-12-7-13-19-17(23)21-15-10-5-2-6-11-15;;/h1-6,8-11H,7,12-13H2,(H2-2,18,19,20,21,22,23);;/q2*-2;+6/p-2/i;;1+1