2,3-bis(3-nitrophenyl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide

Systemtic Name: 2,3-bis(3-nitrophenyl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Openeye Name: 2,3-bis(3-nitrophenyl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide CAS Name: 2,3-bis(3-nitrophenyl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide IUPAC Name: 2,3-bis(3-nitrophenyl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Traditional Name: 2,3-bis(3-nitrophenyl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Formula: C23H14BrN3O4S MolecularWeight: 508.34396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(S2)C=C(C(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(S2)C=C(C(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C23H14N3O4S.BrH/c27-25(28)17-7-3-5-15(11-17)19-13-23-24(21-9-1-2-10-22(21)31-23)14-20(19)16-6-4-8-18(12-16)26(29)30;/h1-14H;1H/q+1;/p-1