2-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C21H13N3O2S2 MolecularWeight: 403.47682

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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)SCC5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=N5

InChI

InChI=1S/C21H13N3O2S2/c25-19-15-6-1-2-7-16(15)20(26)24(19)14-8-9-17-18(11-14)28-21(23-17)27-12-13-5-3-4-10-22-13/h1-11H,12H2