2-[3-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(1-amino-4-phenyl-imidazol-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(1-amino-4-phenyl-2-imidazolyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1-amino-4-phenylimidazol-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(1-amino-4-phenyl-imidazol-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N2)SCCCN3C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)SCCCN3C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C20H18N4O2S/c21-24-13-17(14-7-2-1-3-8-14)22-20(24)27-12-6-11-23-18(25)15-9-4-5-10-16(15)19(23)26/h1-5,7-10,13H,6,11-12,21H2