6-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(1,3-benzothiazol-2-ylthio)-2-phenylbenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylbenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(1,3-benzothiazol-2-ylthio)-2-phenyl-benzo[de]isoquinoline-1,3-quinone Formula: C25H14N2O2S2 MolecularWeight: 438.52086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)SC5=NC6=CC=CC=C6S5)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)SC5=NC6=CC=CC=C6S5)C=CC=C4C2=O

InChI

InChI=1S/C25H14N2O2S2/c28-23-17-10-6-9-16-20(30-25-26-19-11-4-5-12-21(19)31-25)14-13-18(22(16)17)24(29)27(23)15-7-2-1-3-8-15/h1-14H