2-[2-oxidanyl-3-[2-(phenylmethylsulfanyl)-3a,7a-dihydrobenzimidazol-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanyl-3-[2-(phenylmethylsulfanyl)-3a,7a-dihydrobenzimidazol-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(2-benzylsulfanyl-3a,7a-dihydrobenzimidazol-1-yl)-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-[2-(phenylmethylthio)-3a,7a-dihydrobenzimidazol-1-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2-benzylsulfanyl-3a,7a-dihydrobenzimidazol-1-yl)-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-[2-(benzylthio)-3a,7a-dihydrobenzimidazol-1-yl]-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3C=CC=CC3N2CC(CN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3C=CC=CC3N2CC(CN4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H23N3O3S/c29-18(15-28-23(30)19-10-4-5-11-20(19)24(28)31)14-27-22-13-7-6-12-21(22)26-25(27)32-16-17-8-2-1-3-9-17/h1-13,18,21-22,29H,14-16H2