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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-quinone Formula: C22H12FN3O4S2 MolecularWeight: 465.476783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C22H12FN3O4S2/c23-13-6-4-12(5-7-13)11-31-22-24-16-9-8-14(10-18(16)32-22)25-20(27)15-2-1-3-17(26(29)30)19(15)21(25)28/h1-10H,11H2