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

Systemtic Name: 6-(4-methoxyphenyl)-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 6-(4-methoxyphenyl)-3-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 6-(4-methoxyphenyl)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 6-(4-methoxyphenyl)-3-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-[[2-keto-2-(2-thienyl)ethyl]thio]-6-(4-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C17H13N5O3S2 MolecularWeight: 399.44682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN3C(=NC2=O)NN=C3SCC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN3C(=NC2=O)NN=C3SCC(=O)C4=CC=CS4

InChI

InChI=1S/C17H13N5O3S2/c1-25-11-6-4-10(5-7-11)14-15(24)18-16-19-20-17(22(16)21-14)27-9-12(23)13-3-2-8-26-13/h2-8H,9H2,1H3,(H,18,19,24)