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

Systemtic Name: 2-[4-(1-cyclopropylimidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-cyclopropylimidazol-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-cyclopropyl-2-imidazolyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-cyclopropylimidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-cyclopropylimidazol-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC1N2C=CN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H19N3O2S/c22-16-14-5-1-2-6-15(14)17(23)21(16)10-3-4-12-24-18-19-9-11-20(18)13-7-8-13/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2