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

Systemtic Name: 6-(4-fluorophenyl)-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 6-(4-fluorophenyl)-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 6-(4-fluorophenyl)-3-(phenacylthio)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 6-(4-fluorophenyl)-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 6-(4-fluorophenyl)-3-(phenacylthio)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C18H12FN5O2S MolecularWeight: 381.383583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H12FN5O2S/c19-13-8-6-12(7-9-13)15-16(26)20-17-21-22-18(24(17)23-15)27-10-14(25)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21,26)