2-[2-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C25H27FN4O3S MolecularWeight: 482.570283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)COC4=CC=CC=C4F

Isomeric SMILES

CCCCCCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)COC4=CC=CC=C4F

InChI

InChI=1S/C25H27FN4O3S/c1-2-3-4-9-14-29-22(17-33-21-13-8-7-12-20(21)26)27-28-25(29)34-16-15-30-23(31)18-10-5-6-11-19(18)24(30)32/h5-8,10-13H,2-4,9,14-17H2,1H3