2-[3-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(1-benzylimidazol-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[[1-(phenylmethyl)-2-imidazolyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1-benzylimidazol-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(1-benzylimidazol-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O2S/c25-19-17-9-4-5-10-18(17)20(26)24(19)12-6-14-27-21-22-11-13-23(21)15-16-7-2-1-3-8-16/h1-5,7-11,13H,6,12,14-15H2