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

Systemtic Name: 2-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C19H21N5O2S/c25-16-14-5-1-2-6-15(14)17(26)23(16)11-12-27-19-21-20-18(22-9-3-4-10-22)24(19)13-7-8-13/h1-2,5-6,13H,3-4,7-12H2