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

Systemtic Name: 2-[3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]isoindoline-1,3-quinone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

InChI

InChI=1S/C21H19N5O2S/c27-19-16-4-1-2-5-17(16)20(28)25(19)12-3-13-29-21-24-23-18(26(21)15-6-7-15)14-8-10-22-11-9-14/h1-2,4-5,8-11,15H,3,6-7,12-13H2