2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C22H10N4O4S3 MolecularWeight: 490.5342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C22H10N4O4S3/c27-19-13-3-1-2-4-14(13)20(28)25(19)11-5-7-15-17(9-11)31-21(23-15)33-22-24-16-8-6-12(26(29)30)10-18(16)32-22/h1-10H