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

Systemtic Name: 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[1-(3-chlorophenyl)-2-imidazolyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[1-(3-chlorophenyl)imidazol-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC=CN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC=CN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN3O2S/c22-15-6-5-7-16(14-15)24-12-10-23-21(24)28-13-4-3-11-25-19(26)17-8-1-2-9-18(17)20(25)27/h1-2,5-10,12,14H,3-4,11,13H2