2-[4-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C23H23N3O2S MolecularWeight: 405.51262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C23H23N3O2S/c1-16-13-17(2)15-18(14-16)25-11-9-24-23(25)29-12-6-5-10-26-21(27)19-7-3-4-8-20(19)22(26)28/h3-4,7-9,11,13-15H,5-6,10,12H2,1-2H3