2-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-quinone Formula: C25H15N3O2S2 MolecularWeight: 453.5355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C25H15N3O2S2/c29-23-18-8-3-5-15-6-4-9-19(22(15)18)24(30)28(23)17-10-11-20-21(13-17)32-25(27-20)31-14-16-7-1-2-12-26-16/h1-13H,14H2