2-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]isoindole-1,3-dione Openeye Name: 2-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2-cyclopenta[d]imidazolylthio)methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]isoindole-1,3-dione Traditional Name: 2-[2-[(cyclopent[d]imidazol-2-ylthio)methyl]phenyl]isoindoline-1,3-quinone Formula: C21H13N3O2S MolecularWeight: 371.41182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC3=N2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC3=N2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H13N3O2S/c25-19-14-7-2-3-8-15(14)20(26)24(19)18-11-4-1-6-13(18)12-27-21-22-16-9-5-10-17(16)23-21/h1-11H,12H2