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

Systemtic Name: 2-[4-(1-methylimidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-methylimidazol-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-methyl-2-imidazolyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-methylimidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-methylimidazol-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN1C=CN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17N3O2S/c1-18-10-8-17-16(18)22-11-5-4-9-19-14(20)12-6-2-3-7-13(12)15(19)21/h2-3,6-8,10H,4-5,9,11H2,1H3