2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C25H18N4O2S MolecularWeight: 438.50102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O2S/c30-23-19-13-7-8-14-20(19)24(31)29(23)15-16-32-25-26-21(17-9-3-1-4-10-17)22(27-28-25)18-11-5-2-6-12-18/h1-14H,15-16H2