2-(2-pyrazol-1-ylethyl)-4-[4-(thiolan-3-yl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(2-pyrazol-1-ylethyl)-4-[4-(thiolan-3-yl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(2-pyrazol-1-ylethyl)-4-(4-tetrahydrothiophen-3-ylpiperazin-1-yl)isoindoline-1,3-dione CAS Name: 2-[2-(1-pyrazolyl)ethyl]-4-[4-(3-thiolanyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(2-pyrazol-1-ylethyl)-4-[4-(thiolan-3-yl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(2-pyrazol-1-ylethyl)-4-(4-tetrahydrothiophen-3-ylpiperazino)isoindoline-1,3-quinone Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

Isomeric SMILES

C1CSCC1N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

InChI

InChI=1S/C21H25N5O2S/c27-20-17-3-1-4-18(24-10-8-23(9-11-24)16-5-14-29-15-16)19(17)21(28)26(20)13-12-25-7-2-6-22-25/h1-4,6-7,16H,5,8-15H2