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

Systemtic Name: 2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C17H11FN4O2S MolecularWeight: 354.358243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=CN3C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=CN3C4=CC=CC=C4F

InChI

InChI=1S/C17H11FN4O2S/c18-13-7-3-4-8-14(13)21-9-19-20-17(21)25-10-22-15(23)11-5-1-2-6-12(11)16(22)24/h1-9H,10H2