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

Systemtic Name: 2-[4-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O)N5CCOCC5

Isomeric SMILES

C1CC1N2C(=NN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O)N5CCOCC5

InChI

InChI=1S/C21H25N5O3S/c27-18-16-5-1-2-6-17(16)19(28)25(18)9-3-4-14-30-21-23-22-20(26(21)15-7-8-15)24-10-12-29-13-11-24/h1-2,5-6,15H,3-4,7-14H2