(2Z)-2-(1,3-benzothiazol-3-ium-2-ylmethylidene)-3H-1,3-benzothiazole bromide hydroxide

Systemtic Name: (2Z)-2-(1,3-benzothiazol-3-ium-2-ylmethylidene)-3H-1,3-benzothiazole bromide hydroxide Openeye Name: (2Z)-2-(1,3-benzothiazol-3-ium-2-ylmethylene)-3H-1,3-benzothiazole bromide hydroxide CAS Name: (2Z)-2-(1,3-benzothiazol-3-ium-2-ylmethylidene)-3H-1,3-benzothiazole bromide hydroxide IUPAC Name: (2Z)-2-(1,3-benzothiazol-3-ium-2-ylmethylidene)-3H-1,3-benzothiazole bromide hydroxide Traditional Name: (2Z)-2-(1,3-benzothiazol-3-ium-2-ylmethylene)-3H-1,3-benzothiazole bromide hydroxide Formula: C30H23BrN4OS4 MolecularWeight: 663.69382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC3=[NH+]C4=CC=CC=C4S3)S2.C1=CC=C2C(=C1)NC(=CC3=[NH+]C4=CC=CC=C4S3)S2.[OH-].[Br-]

Isomeric SMILES

C1=CC=C2S/C(=C\C3=[NH+]C4=CC=CC=C4S3)/NC2=C1.C1=CC=C2S/C(=C\C3=[NH+]C4=CC=CC=C4S3)/NC2=C1.[OH-].[Br-]

InChI

InChI=1S/2C15H10N2S2.BrH.H2O/c2*1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;;/h2*1-9,16H;1H;1H2/b2*14-9-;;