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

Systemtic Name: 2-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]isoindoline-1,3-quinone Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S/c1-2-24-17(14-8-10-21-11-9-14)22-23-20(24)28-13-5-12-25-18(26)15-6-3-4-7-16(15)19(25)27/h3-4,6-11H,2,5,12-13H2,1H3