3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Systemtic Name: 3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 3-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 3-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-6-(4-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-6-(4-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C19H14FN5O3S MolecularWeight: 411.409563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN3C(=NC2=O)NN=C3SCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN3C(=NC2=O)NN=C3SCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H14FN5O3S/c1-28-14-8-4-12(5-9-14)16-17(27)21-18-22-23-19(25(18)24-16)29-10-15(26)11-2-6-13(20)7-3-11/h2-9H,10H2,1H3,(H,21,22,27)