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

Systemtic Name: 2-[4-(1-methylbenzimidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-methylbenzimidazol-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-methyl-2-benzimidazolyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-methylbenzimidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-methylbenzimidazol-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H19N3O2S/c1-22-17-11-5-4-10-16(17)21-20(22)26-13-7-6-12-23-18(24)14-8-2-3-9-15(14)19(23)25/h2-5,8-11H,6-7,12-13H2,1H3