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

Systemtic Name: 2-[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)N5CCOCC5

Isomeric SMILES

C1CC1N2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)N5CCOCC5

InChI

InChI=1S/C19H21N5O3S/c25-16-14-3-1-2-4-15(14)17(26)23(16)9-12-28-19-21-20-18(24(19)13-5-6-13)22-7-10-27-11-8-22/h1-4,13H,5-12H2