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

Systemtic Name: 2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N4O2S/c23-16-14-8-4-5-9-15(14)17(24)21(16)10-11-25-18-20-19-12-22(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2