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

Systemtic Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(2-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C22H13FN2O2S2 MolecularWeight: 420.479223

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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=CC=CC=C5C4=O)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)F

InChI

InChI=1S/C22H13FN2O2S2/c23-17-8-4-1-5-13(17)12-28-22-24-18-10-9-14(11-19(18)29-22)25-20(26)15-6-2-3-7-16(15)21(25)27/h1-11H,12H2