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

Systemtic Name: 2-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-amyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCN1C=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N4O2S/c1-2-3-6-9-20-12-18-19-17(20)24-11-10-21-15(22)13-7-4-5-8-14(13)16(21)23/h4-5,7-8,12H,2-3,6,9-11H2,1H3