2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C14H8F3N3O2S MolecularWeight: 339.29243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C14H8F3N3O2S/c15-14(16,17)10-5-6-18-13(19-10)23-7-20-11(21)8-3-1-2-4-9(8)12(20)22/h1-6H,7H2