4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiolate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiolate Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiolate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinethiolate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiolate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiolate Formula: C12H6F3N2O2S- MolecularWeight: 299.24845

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)[S-])C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)[S-])C(F)(F)F

InChI

InChI=1S/C12H7F3N2O2S/c13-12(14,15)10-4-7(16-11(20)17-10)6-1-2-8-9(3-6)19-5-18-8/h1-4H,5H2,(H,16,17,20)/p-1