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

Systemtic Name: 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C20H23N5O2S/c26-17-15-6-2-3-7-16(15)18(27)24(17)12-13-28-20-22-21-19(25(20)14-8-9-14)23-10-4-1-5-11-23/h2-3,6-7,14H,1,4-5,8-13H2