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

Systemtic Name: 2-[3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-cyclopropyl-5-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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