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

Systemtic Name: 3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 3-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O3S/c1-27-14-9-7-12(8-10-14)15(25)11-28-19-22-21-18-20-17(26)16(23-24(18)19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,26)