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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)N4CCOCC4

Isomeric SMILES

CN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)N4CCOCC4

InChI

InChI=1S/C18H21N5O3S/c1-21-17(22-8-10-26-11-9-22)19-20-18(21)27-12-4-7-23-15(24)13-5-2-3-6-14(13)16(23)25/h2-3,5-6H,4,7-12H2,1H3