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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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