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

Systemtic Name: 2-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

InChI

InChI=1S/C23H17N5O2S/c29-21-18-8-4-5-9-19(18)22(30)27(21)14-15-31-23-26-25-20(16-10-12-24-13-11-16)28(23)17-6-2-1-3-7-17/h1-13H,14-15H2