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

Systemtic Name: 2-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)isoindoline-1,3-dione CAS Name: 2-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Traditional Name: 2-[2-(benzylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C22H14N2O2S2 MolecularWeight: 402.48876

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N2O2S2/c25-20-16-8-4-5-9-17(16)21(26)24(20)15-10-11-18-19(12-15)28-22(23-18)27-13-14-6-2-1-3-7-14/h1-12H,13H2