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

Systemtic Name: 2-[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)N4CCOCC4

InChI

InChI=1S/C18H21N5O3S/c1-2-22-17(21-7-10-26-11-8-21)19-20-18(22)27-12-9-23-15(24)13-5-3-4-6-14(13)16(23)25/h3-6H,2,7-12H2,1H3