2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C25H19FN4O2S MolecularWeight: 458.507363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5F

InChI

InChI=1S/C25H19FN4O2S/c26-21-13-7-6-12-20(21)22-27-28-25(29(22)15-14-17-8-2-1-3-9-17)33-16-30-23(31)18-10-4-5-11-19(18)24(30)32/h1-13H,14-16H2