2-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-fluoro-1-naphthyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-fluoro-1-naphthalenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-fluoro-1-naphthyl)methylthio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C26H15FN2O2S2 MolecularWeight: 470.537903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2F)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2F)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H15FN2O2S2/c27-21-11-9-15(17-5-1-2-6-18(17)21)14-32-26-28-22-12-10-16(13-23(22)33-26)29-24(30)19-7-3-4-8-20(19)25(29)31/h1-13H,14H2