1-(4-chlorophenyl)-7-phenyl-3-thiophen-2-ylcarbonyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one

Systemtic Name: 1-(4-chlorophenyl)-7-phenyl-3-thiophen-2-ylcarbonyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one Openeye Name: 1-(4-chlorophenyl)-7-phenyl-3-(thiophene-2-carbonyl)-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one CAS Name: 1-(4-chlorophenyl)-3-[oxo(thiophen-2-yl)methyl]-7-phenyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one IUPAC Name: 1-(4-chlorophenyl)-7-phenyl-3-(thiophene-2-carbonyl)-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one Traditional Name: 1-(4-chlorophenyl)-7-phenyl-3-(2-thenoyl)-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one Formula: C21H13ClN6O2S MolecularWeight: 448.88492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C3N(N=C(NN3C2=O)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C3N(N=C(NN3C2=O)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H13ClN6O2S/c22-14-8-10-15(11-9-14)27-21-24-23-17(13-5-2-1-3-6-13)20(30)28(21)26-19(25-27)18(29)16-7-4-12-31-16/h1-12H,(H,25,26)