2-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propyl]isoindoline-1,3-quinone Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H16N4O2S/c24-17-14-9-4-5-10-15(14)18(25)23(17)11-6-12-26-19-20-16(21-22-19)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,21,22)