2-[[bis[(2-sulfanidylphenyl)methyl]amino]methyl]benzenethiolate; gallium-68(3+)

Systemtic Name: 2-[[bis[(2-sulfanidylphenyl)methyl]amino]methyl]benzenethiolate; gallium-68(3+) Openeye Name: 2-[[bis[(2-sulfidophenyl)methyl]amino]methyl]benzenethiolate; gallium-68(3+) CAS Name: 2-[[bis[(2-sulfidophenyl)methyl]amino]methyl]benzenethiolate; gallium-68(3+) IUPAC Name: 2-[[bis[(2-sulfidophenyl)methyl]amino]methyl]benzenethiolate; gallium-68(3+) Traditional Name: 2-[[bis(2-sulfidobenzyl)amino]methyl]benzenethiolate; gallium-68(3+) Formula: C21H18GaNS3 MolecularWeight: 448.497303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CC2=CC=CC=C2[S-])CC3=CC=CC=C3[S-])[S-].[Ga+3]

Isomeric SMILES

C1=CC=C(C(=C1)CN(CC2=CC=CC=C2[S-])CC3=CC=CC=C3[S-])[S-].[68Ga+3]

InChI

InChI=1S/C21H21NS3.Ga/c23-19-10-4-1-7-16(19)13-22(14-17-8-2-5-11-20(17)24)15-18-9-3-6-12-21(18)25;/h1-12,23-25H,13-15H2;/q;+3/p-3/i;1-2