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

Systemtic Name: 2-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]isoindoline-1,3-quinone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-2-24-18(15-9-4-3-5-10-15)22-23-21(24)28-14-8-13-25-19(26)16-11-6-7-12-17(16)20(25)27/h3-7,9-12H,2,8,13-14H2,1H3