3-[[4-(1,3-benzothiazol-5-yl)phenyl]methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 3-[[4-(1,3-benzothiazol-5-yl)phenyl]methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 3-[[4-(1,3-benzothiazol-5-yl)phenyl]methyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 3-[[4-(1,3-benzothiazol-5-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 3-[[4-(1,3-benzothiazol-5-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 3-[4-(1,3-benzothiazol-5-yl)benzyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C24H14N4O3S MolecularWeight: 438.45796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N([N+](=N3)[O-])CC4=CC=C(C=C4)C5=CC6=C(C=C5)SC=N6

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N([N+](=N3)[O-])CC4=CC=C(C=C4)C5=CC6=C(C=C5)SC=N6

InChI

InChI=1S/C24H14N4O3S/c29-23-17-3-1-2-4-18(17)24(30)22-21(23)26-28(31)27(22)12-14-5-7-15(8-6-14)16-9-10-20-19(11-16)25-13-32-20/h1-11,13H,12H2