3-[2-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-2-oxoethyl]thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 3-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-2-13-8-10-14(11-9-13)16(26)12-28-20-23-22-19-21-18(27)17(24-25(19)20)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,21,22,27)