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

Systemtic Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C13H9F3N4O2S MolecularWeight: 342.29637

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O2S/c1-19-11(13(14,15)16)17-18-12(19)23-6-20-9(21)7-4-2-3-5-8(7)10(20)22/h2-5H,6H2,1H3