2-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-quinone Formula: C26H15N3O4S2 MolecularWeight: 497.545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC5=C(C=C4)N=C(S5)SCC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC5=C(C=C4)N=C(S5)SCC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H15N3O4S2/c30-24-19-5-1-3-16-4-2-6-20(23(16)19)25(31)28(24)18-11-12-21-22(13-18)35-26(27-21)34-14-15-7-9-17(10-8-15)29(32)33/h1-13H,14H2