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

Systemtic Name: 2-[4-[1-(3-methylphenyl)imidazol-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[1-(m-tolyl)imidazol-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[1-(3-methylphenyl)-2-imidazolyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[1-(3-methylphenyl)imidazol-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[1-(m-tolyl)imidazol-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-16-7-6-8-17(15-16)24-13-11-23-22(24)28-14-5-4-12-25-20(26)18-9-2-3-10-19(18)21(25)27/h2-3,6-11,13,15H,4-5,12,14H2,1H3