2-[4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H27N3O2S/c1-19-9-13-21(14-10-19)25-26(22-15-11-20(2)12-16-22)31-29(30-25)35-18-6-5-17-32-27(33)23-7-3-4-8-24(23)28(32)34/h3-4,7-16H,5-6,17-18H2,1-2H3,(H,30,31)