benzenesulfonate; 2-phenyl-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-amine

Systemtic Name: benzenesulfonate; 2-phenyl-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-amine Openeye Name: benzenesulfonate; 2-phenylthiazolo[2,3-b][1,3]benzothiazol-9-ium-1-amine CAS Name: benzenesulfonate; 2-phenyl-1-thiazolo[2,3-b][1,3]benzothiazol-9-iumamine IUPAC Name: benzenesulfonate; 2-phenyl-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-amine Traditional Name: (2-phenylthiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)amine besylate Formula: C21H16N2O3S3 MolecularWeight: 440.55834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C([N+]3=C(S2)SC4=CC=CC=C43)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C([N+]3=C(S2)SC4=CC=CC=C43)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H11N2S2.C6H6O3S/c16-14-13(10-6-2-1-3-7-10)19-15-17(14)11-8-4-5-9-12(11)18-15;7-10(8,9)6-4-2-1-3-5-6/h1-9H,16H2;1-5H,(H,7,8,9)/q+1;/p-1