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

Systemtic Name: 2-[4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H27N5O2S/c28-19-17-8-2-3-9-18(17)20(29)26(19)14-6-7-15-30-22-24-23-21(27(22)16-10-11-16)25-12-4-1-5-13-25/h2-3,8-9,16H,1,4-7,10-15H2