2-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]isoindole-1,3-dione Openeye Name: 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]isoindoline-1,3-dione CAS Name: 2-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]isoindole-1,3-dione Traditional Name: 2-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]isoindoline-1,3-quinone Formula: C21H11N3O4S2 MolecularWeight: 433.45974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O4S2/c25-19-15-5-1-2-6-16(15)20(26)23(19)12-9-13(24(27)28)11-14(10-12)29-21-22-17-7-3-4-8-18(17)30-21/h1-11H