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

Systemtic Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(2-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(2-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=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-])F

InChI

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