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

Systemtic Name: 2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

InChI

InChI=1S/C20H17N5O2S/c26-18-15-3-1-2-4-16(15)19(27)24(18)11-12-28-20-23-22-17(25(20)14-5-6-14)13-7-9-21-10-8-13/h1-4,7-10,14H,5-6,11-12H2