2-[[1,2-bis(3-nitrophenyl)-2-[(2-sulfanylphenyl)amino]ethyl]amino]benzenethiol

Systemtic Name: 2-[[1,2-bis(3-nitrophenyl)-2-[(2-sulfanylphenyl)amino]ethyl]amino]benzenethiol Openeye Name: 2-[[1,2-bis(3-nitrophenyl)-2-(2-sulfanylanilino)ethyl]amino]benzenethiol CAS Name: 2-[[2-(2-mercaptoanilino)-1,2-bis(3-nitrophenyl)ethyl]amino]benzenethiol IUPAC Name: 2-[[1,2-bis(3-nitrophenyl)-2-(2-sulfanylanilino)ethyl]amino]benzenethiol Traditional Name: 2-[[2-(2-mercaptoanilino)-1,2-bis(3-nitrophenyl)ethyl]amino]benzenethiol Formula: C26H22N4O4S2 MolecularWeight: 518.60728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(C2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C4S)S

Isomeric SMILES

C1=CC=C(C(=C1)NC(C2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C4S)S

InChI

InChI=1S/C26H22N4O4S2/c31-29(32)19-9-5-7-17(15-19)25(27-21-11-1-3-13-23(21)35)26(28-22-12-2-4-14-24(22)36)18-8-6-10-20(16-18)30(33)34/h1-16,25-28,35-36H