6-(4-fluorophenyl)-3-(2-oxidanylidenepropylsulfanyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Systemtic Name: 6-(4-fluorophenyl)-3-(2-oxidanylidenepropylsulfanyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 3-acetonylsulfanyl-6-(4-fluorophenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 6-(4-fluorophenyl)-3-(2-oxopropylthio)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 6-(4-fluorophenyl)-3-(2-oxopropylsulfanyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-(acetonylthio)-6-(4-fluorophenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C13H10FN5O2S MolecularWeight: 319.314203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC2=NC(=O)C(=NN21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)CSC1=NNC2=NC(=O)C(=NN21)C3=CC=C(C=C3)F

InChI

InChI=1S/C13H10FN5O2S/c1-7(20)6-22-13-17-16-12-15-11(21)10(18-19(12)13)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3,(H,15,16,21)