1-(3-chlorophenyl)-6-phenyl-3-thiophen-2-ylcarbonyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Systemtic Name: 1-(3-chlorophenyl)-6-phenyl-3-thiophen-2-ylcarbonyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 1-(3-chlorophenyl)-6-phenyl-3-(thiophene-2-carbonyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 1-(3-chlorophenyl)-3-[oxo(thiophen-2-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 1-(3-chlorophenyl)-6-phenyl-3-(thiophene-2-carbonyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 1-(3-chlorophenyl)-6-phenyl-3-(2-thenoyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C21H12ClN5O2S MolecularWeight: 433.87028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C(=NN(C3=NC2=O)C4=CC(=CC=C4)Cl)C(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C(=NN(C3=NC2=O)C4=CC(=CC=C4)Cl)C(=O)C5=CC=CS5

InChI

InChI=1S/C21H12ClN5O2S/c22-14-8-4-9-15(12-14)26-21-23-20(29)17(13-6-2-1-3-7-13)24-27(21)19(25-26)18(28)16-10-5-11-30-16/h1-12H